CID 494227

Garryfoline, oxalate

Structural Information

Molecular Formula
C22H33NO2
SMILES
CC12CCCC3(C1CCC45C3CCC(C4)C(=C)C5O)C6N(C2)CCO6
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)19-23(13-20)10-11-25-19/h15-19,24H,1,3-13H2,2H3
InChIKey
MGAZMNWJFPAAIU-UHFFFAOYSA-N
Compound name
12-methyl-6-methylidene-17-oxa-14-azahexacyclo[10.6.3.15,8.01,11.02,8.014,18]docosan-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
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 189.1
[M+Na]+ 366.24035 196.1
[M+NH4]+ 361.28495 203.4
[M+K]+ 382.21429 186.9
[M-H]- 342.24385 192.1
[M+Na-2H]- 364.22580 187.8
[M]+ 343.25058 191.2
[M]- 343.25168 191.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe