CID 91617738

Garryine hydrochloride

Structural Information

Molecular Formula
C22H33NO2
SMILES
C[C@@]12CCC[C@@]3([C@@H]1CC[C@]45[C@H]3CC[C@H](C4)C(=C)[C@@H]5O)CN6[C@@H]2OCC6
InChI
InChI=1S/C22H33NO2/c1-14-15-4-5-17-21(12-15,18(14)24)9-6-16-20(2)7-3-8-22(16,17)13-23-10-11-25-19(20)23/h15-19,24H,1,3-13H2,2H3/t15-,16-,17-,18+,19-,20-,21-,22+/m1/s1
InChIKey
IVNWJNHFVISYHC-KULDPHIESA-N
Compound name
(1R,2S,5R,7S,8R,11S,12R,13R)-12-methyl-6-methylidene-14-oxa-17-azahexacyclo[10.6.3.15,8.01,11.02,8.013,17]docosan-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.25113 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.25841 184.1
[M+Na]+ 366.24035 187.9
[M-H]- 342.24385 186.5
[M+NH4]+ 361.28495 207.3
[M+K]+ 382.21429 181.1
[M+H-H2O]+ 326.24839 174.9
[M+HCOO]- 388.24933 185.4
[M+CH3COO]- 402.26498 190.8
[M+Na-2H]- 364.22580 182.0
[M]+ 343.25058 174.4
[M]- 343.25168 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.