CID 44181877

2-amino-2-methylcyclohexane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1(CCCCC1C(=O)O)N
InChI
InChI=1S/C8H15NO2/c1-8(9)5-3-2-4-6(8)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)
InChIKey
QGQOGLOVEDHNKE-UHFFFAOYSA-N
Compound name
2-amino-2-methylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

157.11028 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 134.6
[M+Na]+ 180.099498 139.9
[M-H]- 156.103004 136.0
[M+NH4]+ 175.144103 156.1
[M+K]+ 196.073438 138.8
[M+H-H2O]+ 140.107540 130.3
[M+HCOO]- 202.108481 153.6
[M+CH3COO]- 216.124131 175.7
[M+Na-2H]- 178.084946 138.3
[M]+ 157.10973142 128.4
[M]- 157.11082858 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

No literature data available for this compound.

Patent stripe

patents stripe