CID 1366

1-aminocyclohexanecarboxylic acid

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1CCC(CC1)(C(=O)O)N
InChI
InChI=1S/C7H13NO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5,8H2,(H,9,10)
InChIKey
WOXWUZCRWJWTRT-UHFFFAOYSA-N
Compound name
1-aminocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

50
References

8658
Patents

143.09464 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 131.0
[M+Na]+ 166.08386 139.3
[M+NH4]+ 161.12846 140.2
[M+K]+ 182.05780 133.3
[M-H]- 142.08736 131.9
[M+Na-2H]- 164.06931 136.3
[M]+ 143.09409 132.1
[M]- 143.09519 132.1
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