CID 100496

Decyl benzoate

Structural Information

Molecular Formula
C17H26O2
SMILES
CCCCCCCCCCOC(=O)C1=CC=CC=C1
InChI
InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-12-15-19-17(18)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3
InChIKey
CUSUFTNOPPMGBK-UHFFFAOYSA-N
Compound name
decyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

852
Patents

262.19327 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.200546 167.0
[M+Na]+ 285.182488 171.0
[M-H]- 261.185994 169.1
[M+NH4]+ 280.227093 183.6
[M+K]+ 301.156428 168.0
[M+H-H2O]+ 245.190530 159.6
[M+HCOO]- 307.191471 188.5
[M+CH3COO]- 321.207121 198.8
[M+Na-2H]- 283.167936 169.5
[M]+ 262.19272142 171.3
[M]- 262.19381858 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe