CID 145899330

2378490-12-9

Structural Information

Molecular Formula
C12H21NO2
SMILES
C1CCC(CC1)[C@H]2CC[C@H](NC2)C(=O)O
InChI
InChI=1S/C12H21NO2/c14-12(15)11-7-6-10(8-13-11)9-4-2-1-3-5-9/h9-11,13H,1-8H2,(H,14,15)/t10-,11-/m0/s1
InChIKey
SNNFZXPLKYJSIO-QWRGUYRKSA-N
Compound name
(2S,5R)-5-cyclohexylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.15723 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.16451 151.7
[M+Na]+ 234.14645 152.9
[M-H]- 210.14995 152.2
[M+NH4]+ 229.19105 166.7
[M+K]+ 250.12039 149.9
[M+H-H2O]+ 194.15449 144.4
[M+HCOO]- 256.15543 163.2
[M+CH3COO]- 270.17108 181.0
[M+Na-2H]- 232.13190 151.8
[M]+ 211.15668 140.1
[M]- 211.15778 140.1
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.