CID 14876726

2305425-37-8

Structural Information

Molecular Formula
C9H17NO2
SMILES
CN(C)C1CCC(CC1)C(=O)O
InChI
InChI=1S/C9H17NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKey
GTUZTWPXWNPFPX-UHFFFAOYSA-N
Compound name
4-(dimethylamino)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

171.12593 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 138.5
[M+Na]+ 194.115148 142.6
[M-H]- 170.118654 141.4
[M+NH4]+ 189.159753 158.4
[M+K]+ 210.089088 142.8
[M+H-H2O]+ 154.123190 132.8
[M+HCOO]- 216.124131 158.4
[M+CH3COO]- 230.139781 183.3
[M+Na-2H]- 192.100596 140.8
[M]+ 171.12538142 134.6
[M]- 171.12647858 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