CID 64416034

1-amino-4,4-dimethylcyclohexane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC1(CCC(CC1)(C(=O)O)N)C
InChI
InChI=1S/C9H17NO2/c1-8(2)3-5-9(10,6-4-8)7(11)12/h3-6,10H2,1-2H3,(H,11,12)
InChIKey
IEFQYFFTBQOEBR-UHFFFAOYSA-N
Compound name
1-amino-4,4-dimethylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

171.12593 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 137.9
[M+Na]+ 194.115148 143.8
[M-H]- 170.118654 139.6
[M+NH4]+ 189.159753 160.9
[M+K]+ 210.089088 142.7
[M+H-H2O]+ 154.123190 134.5
[M+HCOO]- 216.124131 156.6
[M+CH3COO]- 230.139781 178.6
[M+Na-2H]- 192.100596 142.4
[M]+ 171.12538142 132.6
[M]- 171.12647858 132.6
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