CID 64468739

1-amino-3,3-dimethylcyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC1(CCCC(C1)(C(=O)O)N)C
InChI
InChI=1S/C9H17NO2/c1-8(2)4-3-5-9(10,6-8)7(11)12/h3-6,10H2,1-2H3,(H,11,12)
InChIKey
NNLUUBZIUUDZLR-UHFFFAOYSA-N
Compound name
1-amino-3,3-dimethylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

171.12593 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 137.9
[M+Na]+ 194.11515 143.8
[M-H]- 170.11865 139.6
[M+NH4]+ 189.15975 160.9
[M+K]+ 210.08909 142.7
[M+H-H2O]+ 154.12319 134.5
[M+HCOO]- 216.12413 156.6
[M+CH3COO]- 230.13978 178.6
[M+Na-2H]- 192.10060 142.4
[M]+ 171.12538 132.6
[M]- 171.12648 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