CID 129413860

2503155-39-1

Structural Information

Molecular Formula
C12H21NO2
SMILES
COC(=O)[C@@H]1CNC[C@H]1C2CCCCC2
InChI
InChI=1S/C12H21NO2/c1-15-12(14)11-8-13-7-10(11)9-5-3-2-4-6-9/h9-11,13H,2-8H2,1H3/t10-,11+/m0/s1
InChIKey
OTUWIMKVPNIHSG-WDEREUQCSA-N
Compound name
methyl (3S,4S)-4-cyclohexylpyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

211.15723 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.16451 152.1
[M+Na]+ 234.14645 154.7
[M-H]- 210.14995 154.5
[M+NH4]+ 229.19105 169.9
[M+K]+ 250.12039 152.5
[M+H-H2O]+ 194.15449 144.9
[M+HCOO]- 256.15543 167.4
[M+CH3COO]- 270.17108 182.3
[M+Na-2H]- 232.13190 151.1
[M]+ 211.15668 144.4
[M]- 211.15778 144.4
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

patents stripe