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]+ 172.13321 138.2
[M+Na]+ 194.11515 146.7
[M+NH4]+ 189.15975 148.6
[M+K]+ 210.08909 138.8
[M-H]- 170.11865 139.2
[M+Na-2H]- 192.10060 144.6
[M]+ 171.12538 139.7
[M]- 171.12648 139.7
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