CID 49049

67032-55-7

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCC(COC(=O)C1=CC=CC=C1)NC2CCCCC2
InChI
InChI=1S/C17H25NO2/c1-2-15(18-16-11-7-4-8-12-16)13-20-17(19)14-9-5-3-6-10-14/h3,5-6,9-10,15-16,18H,2,4,7-8,11-13H2,1H3
InChIKey
BTZNRWGZXNHOKW-UHFFFAOYSA-N
Compound name
2-(cyclohexylamino)butyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.18854 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 167.8
[M+Na]+ 298.177758 168.7
[M-H]- 274.181264 172.4
[M+NH4]+ 293.222363 182.5
[M+K]+ 314.151698 166.2
[M+H-H2O]+ 258.185800 159.4
[M+HCOO]- 320.186741 186.4
[M+CH3COO]- 334.202391 201.2
[M+Na-2H]- 296.163206 169.1
[M]+ 275.18799142 163.6
[M]- 275.18908858 163.6
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

patents stripe