CID 95008036

Rac-sodium (1r,2s)-2-(1h-imidazol-1-yl)cyclohexane-1-carboxylate

Structural Information

Molecular Formula
C10H14N2O2
SMILES
C1CC[C@@H]([C@@H](C1)C(=O)O)N2C=CN=C2
InChI
InChI=1S/C10H14N2O2/c13-10(14)8-3-1-2-4-9(8)12-6-5-11-7-12/h5-9H,1-4H2,(H,13,14)/t8-,9+/m1/s1
InChIKey
JAPIAPRYKDJVJZ-BDAKNGLRSA-N
Compound name
cis-(1R,2S)-2-imidazol-1-ylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.10553 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.112806 143.0
[M+Na]+ 217.094748 148.5
[M-H]- 193.098254 145.1
[M+NH4]+ 212.139353 160.3
[M+K]+ 233.068688 146.3
[M+H-H2O]+ 177.102790 135.1
[M+HCOO]- 239.103731 160.6
[M+CH3COO]- 253.119381 178.9
[M+Na-2H]- 215.080196 145.1
[M]+ 194.10498142 138.2
[M]- 194.10607858 138.2
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.