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
2
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]+ 263.175396 161.9
[M+Na]+ 285.157338 165.1
[M-H]- 261.160844 167.1
[M+NH4]+ 280.201943 177.4
[M+K]+ 301.131278 162.3
[M+H-H2O]+ 245.165380 153.9
[M+HCOO]- 307.166321 182.7
[M+CH3COO]- 321.181971 201.2
[M+Na-2H]- 283.142786 163.6
[M]+ 262.16757142 156.9
[M]- 262.16866858 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.