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]+ 212.164506 151.4
[M+Na]+ 234.146448 155.0
[M-H]- 210.149954 154.2
[M+NH4]+ 229.191053 169.5
[M+K]+ 250.120388 152.8
[M+H-H2O]+ 194.154490 144.6
[M+HCOO]- 256.155431 166.7
[M+CH3COO]- 270.171081 184.2
[M+Na-2H]- 232.131896 149.9
[M]+ 211.15668142 144.3
[M]- 211.15777858 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

patents stripe