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 148.5
[M+Na]+ 234.14645 151.0
[M-H]- 210.14995 150.1
[M+NH4]+ 229.19105 168.0
[M+K]+ 250.12039 151.3
[M+H-H2O]+ 194.15449 142.5
[M+HCOO]- 256.15543 163.1
[M+CH3COO]- 270.17108 184.0
[M+Na-2H]- 232.13190 150.8
[M]+ 211.15668 140.6
[M]- 211.15778 140.6
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.