CID 50689

P-aminobenzoic acid 2-((4-methylcyclohexyl)amino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC1CCC(CC1)NCCOC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C16H24N2O2/c1-12-2-8-15(9-3-12)18-10-11-20-16(19)13-4-6-14(17)7-5-13/h4-7,12,15,18H,2-3,8-11,17H2,1H3
InChIKey
QECLPASLHFEYOQ-UHFFFAOYSA-N
Compound name
2-[(4-methylcyclohexyl)amino]ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 166.4
[M+Na]+ 299.17300 169.1
[M-H]- 275.17650 171.3
[M+NH4]+ 294.21760 181.3
[M+K]+ 315.14694 166.0
[M+H-H2O]+ 259.18104 158.2
[M+HCOO]- 321.18198 186.8
[M+CH3COO]- 335.19763 204.2
[M+Na-2H]- 297.15845 167.5
[M]+ 276.18323 161.7
[M]- 276.18433 161.7
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

No patent data available for this compound.