CID 2724639

(1r,2r)-2-aminocyclohexanecarboxylic acid

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1CC[C@@H]([C@@H](C1)C(=O)O)N
InChI
InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6+/m1/s1
InChIKey
USQHEVWOPJDAAX-RITPCOANSA-N
Compound name
(1R,2S)-2-aminocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

817
Patents

143.09464 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 130.2
[M+Na]+ 166.08386 138.8
[M+NH4]+ 161.12846 138.0
[M+K]+ 182.05780 134.6
[M-H]- 142.08736 131.2
[M+Na-2H]- 164.06931 133.7
[M]+ 143.09409 131.2
[M]- 143.09519 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe