CID 50807

69781-55-1

Structural Information

Molecular Formula
C15H22N2O2
SMILES
C1CCC(CC1)NCCOC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H22N2O2/c16-13-8-6-12(7-9-13)15(18)19-11-10-17-14-4-2-1-3-5-14/h6-9,14,17H,1-5,10-11,16H2
InChIKey
SAJSNYSKUCFGAL-UHFFFAOYSA-N
Compound name
2-(cyclohexylamino)ethyl 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 161.5
[M+Na]+ 285.15734 163.7
[M-H]- 261.16084 166.3
[M+NH4]+ 280.20194 176.6
[M+K]+ 301.13128 160.8
[M+H-H2O]+ 245.16538 153.3
[M+HCOO]- 307.16632 182.3
[M+CH3COO]- 321.18197 200.0
[M+Na-2H]- 283.14279 163.9
[M]+ 262.16757 156.1
[M]- 262.16867 156.1
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.