CID 14728450

(e)-8-tetradecenyl formate

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCCC/C=C/CCCCCCCOC=O
InChI
InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16/h6-7,15H,2-5,8-14H2,1H3/b7-6+
InChIKey
OWVXGQYJMSFRBN-VOTSOKGWSA-N
Compound name
[(E)-tetradec-8-enyl] formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

240.20892 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.216196 163.0
[M+Na]+ 263.198138 167.1
[M-H]- 239.201644 161.7
[M+NH4]+ 258.242743 180.8
[M+K]+ 279.172078 164.3
[M+H-H2O]+ 223.206180 156.8
[M+HCOO]- 285.207121 184.7
[M+CH3COO]- 299.222771 195.9
[M+Na-2H]- 261.183586 165.4
[M]+ 240.20837142 169.2
[M]- 240.20946858 169.2
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