CID 3022550

93839-71-5

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(=O)OC1CCC(CC1)NCC2=CC=CC=C2N
InChI
InChI=1S/C15H22N2O2/c1-11(18)19-14-8-6-13(7-9-14)17-10-12-4-2-3-5-15(12)16/h2-5,13-14,17H,6-10,16H2,1H3
InChIKey
VPLIJSLZFWAYSJ-UHFFFAOYSA-N
Compound name
[4-[(2-aminophenyl)methylamino]cyclohexyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 161.9
[M+Na]+ 285.15734 165.1
[M-H]- 261.16084 167.1
[M+NH4]+ 280.20194 177.4
[M+K]+ 301.13128 162.3
[M+H-H2O]+ 245.16538 153.9
[M+HCOO]- 307.16632 182.7
[M+CH3COO]- 321.18197 201.2
[M+Na-2H]- 283.14279 163.6
[M]+ 262.16757 156.9
[M]- 262.16867 156.9
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.