CID 2724639

5691-19-0

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
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

869
Patents

143.09464 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 130.5
[M+Na]+ 166.083858 135.2
[M-H]- 142.087364 131.7
[M+NH4]+ 161.128463 150.5
[M+K]+ 182.057798 134.1
[M+H-H2O]+ 126.091900 125.2
[M+HCOO]- 188.092841 149.8
[M+CH3COO]- 202.108491 173.1
[M+Na-2H]- 164.069306 133.5
[M]+ 143.09409142 123.5
[M]- 143.09518858 123.5
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