CID 22449123

3-(dimethylamino)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C9H17NO2
SMILES
CN(C)C1CCCC(C1)C(=O)O
InChI
InChI=1S/C9H17NO2/c1-10(2)8-5-3-4-7(6-8)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKey
HHGLAYBFCJGDEP-UHFFFAOYSA-N
Compound name
3-(dimethylamino)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

171.12593 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 138.5
[M+Na]+ 194.11515 142.6
[M-H]- 170.11865 141.4
[M+NH4]+ 189.15975 158.4
[M+K]+ 210.08909 142.8
[M+H-H2O]+ 154.12319 132.8
[M+HCOO]- 216.12413 158.4
[M+CH3COO]- 230.13978 183.3
[M+Na-2H]- 192.10060 140.8
[M]+ 171.12538 134.6
[M]- 171.12648 134.6
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