CID 3028072

1-amino-3-methylcyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1CCCC(C1)(C(=O)O)N
InChI
InChI=1S/C8H15NO2/c1-6-3-2-4-8(9,5-6)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)
InChIKey
CTSBXWGZZLXIRA-UHFFFAOYSA-N
Compound name
1-amino-3-methylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

157.11028 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 134.6
[M+Na]+ 180.09950 139.9
[M-H]- 156.10300 136.0
[M+NH4]+ 175.14410 156.1
[M+K]+ 196.07344 138.8
[M+H-H2O]+ 140.10754 130.3
[M+HCOO]- 202.10848 153.6
[M+CH3COO]- 216.12413 175.7
[M+Na-2H]- 178.08495 138.3
[M]+ 157.10973 128.4
[M]- 157.11083 128.4
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