CID 137965924

2230802-65-8

Structural Information

Molecular Formula
C12H21NO2
SMILES
CCOC(=O)[C@@]12CCCCC[C@@H]1NCC2
InChI
InChI=1S/C12H21NO2/c1-2-15-11(14)12-7-5-3-4-6-10(12)13-9-8-12/h10,13H,2-9H2,1H3/t10-,12+/m0/s1
InChIKey
YGVXKVGPQNAQGG-CMPLNLGQSA-N
Compound name
ethyl (3aR,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrole-3a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.15723 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.16451 146.5
[M+Na]+ 234.14645 152.3
[M+NH4]+ 229.19105 154.7
[M+K]+ 250.12039 148.9
[M-H]- 210.14995 146.1
[M+Na-2H]- 232.13190 149.7
[M]+ 211.15668 147.0
[M]- 211.15778 147.0
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.