CID 3023560

9-decenyl benzoate

Structural Information

Molecular Formula
C17H24O2
SMILES
C=CCCCCCCCCOC(=O)C1=CC=CC=C1
InChI
InChI=1S/C17H24O2/c1-2-3-4-5-6-7-8-12-15-19-17(18)16-13-10-9-11-14-16/h2,9-11,13-14H,1,3-8,12,15H2
InChIKey
KTKUVSSAEZNITC-UHFFFAOYSA-N
Compound name
dec-9-enyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

260.17764 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18492 165.5
[M+Na]+ 283.16686 169.8
[M-H]- 259.17036 167.6
[M+NH4]+ 278.21146 182.0
[M+K]+ 299.14080 166.2
[M+H-H2O]+ 243.17490 158.2
[M+HCOO]- 305.17584 187.2
[M+CH3COO]- 319.19149 197.9
[M+Na-2H]- 281.15231 168.1
[M]+ 260.17709 169.1
[M]- 260.17819 169.1
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