CID 92135747

Wfk26tp15r

Structural Information

Molecular Formula
C19H25NO4
SMILES
CC1=C(C(=CC=C1)C)C(=O)O[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C
InChI
InChI=1S/C19H25NO4/c1-11-6-5-7-12(2)16(11)19(22)24-15-10-13-8-9-14(20(13)3)17(15)18(21)23-4/h5-7,13-15,17H,8-10H2,1-4H3/t13-,14+,15-,17+/m0/s1
InChIKey
SPCLXCYHEGNTKK-QSJFSLAZSA-N
Compound name
methyl (1R,2R,3S,5S)-3-(2,6-dimethylbenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

331.17834 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18562 179.4
[M+Na]+ 354.16756 185.5
[M-H]- 330.17106 183.9
[M+NH4]+ 349.21216 195.7
[M+K]+ 370.14150 182.9
[M+H-H2O]+ 314.17560 172.5
[M+HCOO]- 376.17654 194.4
[M+CH3COO]- 390.19219 212.8
[M+Na-2H]- 352.15301 176.8
[M]+ 331.17779 181.4
[M]- 331.17889 181.4
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.