CID 150074786

(2s,4s)-4-cyclohexyl-1-methylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C12H21NO2
SMILES
CN1C[C@@H](C[C@H]1C(=O)O)C2CCCCC2
InChI
InChI=1S/C12H21NO2/c1-13-8-10(7-11(13)12(14)15)9-5-3-2-4-6-9/h9-11H,2-8H2,1H3,(H,14,15)/t10-,11+/m1/s1
InChIKey
DQALEDUWIJTSSG-MNOVXSKESA-N
Compound name
(2S,4S)-4-cyclohexyl-1-methylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

211.15723 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.16451 151.4
[M+Na]+ 234.14645 155.0
[M-H]- 210.14995 154.2
[M+NH4]+ 229.19105 169.5
[M+K]+ 250.12039 152.8
[M+H-H2O]+ 194.15449 144.6
[M+HCOO]- 256.15543 166.7
[M+CH3COO]- 270.17108 184.2
[M+Na-2H]- 232.13190 149.9
[M]+ 211.15668 144.3
[M]- 211.15778 144.3
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.