CID 214327

1-propanol, 2-(cyclohexylamino)-, benzoate (ester), hydrochloride

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC(COC(=O)C1=CC=CC=C1)NC2CCCCC2
InChI
InChI=1S/C16H23NO2/c1-13(17-15-10-6-3-7-11-15)12-19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3
InChIKey
VYOGAMNPDNSPEN-UHFFFAOYSA-N
Compound name
2-(cyclohexylamino)propyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.17288 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 163.2
[M+Na]+ 284.16210 164.6
[M-H]- 260.16560 168.1
[M+NH4]+ 279.20670 178.6
[M+K]+ 300.13604 162.3
[M+H-H2O]+ 244.17014 155.1
[M+HCOO]- 306.17108 182.2
[M+CH3COO]- 320.18673 198.2
[M+Na-2H]- 282.14755 165.1
[M]+ 261.17233 158.7
[M]- 261.17343 158.7
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.