CID 458765

[3-(dimethylamino)cyclohexyl] 4-aminobenzoate

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CN(C)C1CCCC(C1)OC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H22N2O2/c1-17(2)13-4-3-5-14(10-13)19-15(18)11-6-8-12(16)9-7-11/h6-9,13-14H,3-5,10,16H2,1-2H3
InChIKey
NLUHBGXDVRIRAU-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)cyclohexyl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 162.2
[M+Na]+ 285.15734 165.5
[M-H]- 261.16084 168.9
[M+NH4]+ 280.20194 178.3
[M+K]+ 301.13128 164.1
[M+H-H2O]+ 245.16538 154.1
[M+HCOO]- 307.16632 183.5
[M+CH3COO]- 321.18197 204.6
[M+Na-2H]- 283.14279 163.1
[M]+ 262.16757 158.4
[M]- 262.16867 158.4
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

No patent data available for this compound.