CID 66099157

4-amino-3-(4-methylcyclohexyl)butanoic acid hydrochloride

Structural Information

Molecular Formula
C11H21NO2
SMILES
CC1CCC(CC1)C(CC(=O)O)CN
InChI
InChI=1S/C11H21NO2/c1-8-2-4-9(5-3-8)10(7-12)6-11(13)14/h8-10H,2-7,12H2,1H3,(H,13,14)
InChIKey
WPWJEYDSOZNVDG-UHFFFAOYSA-N
Compound name
4-amino-3-(4-methylcyclohexyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.15723 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.16451 148.0
[M+Na]+ 222.14645 155.4
[M+NH4]+ 217.19105 155.0
[M+K]+ 238.12039 151.2
[M-H]- 198.14995 148.6
[M+Na-2H]- 220.13190 150.1
[M]+ 199.15668 148.8
[M]- 199.15778 148.8
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

No patent data available for this compound.