CID 5363402

3e-tetradecenyl acetate

Structural Information

Molecular Formula
C16H30O2
SMILES
CCCCCCCCCC/C=C/CCOC(=O)C
InChI
InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h12-13H,3-11,14-15H2,1-2H3/b13-12+
InChIKey
YUOMITSDDKQODR-OUKQBFOZSA-N
Compound name
[(E)-tetradec-3-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

254.22458 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.23186 168.6
[M+Na]+ 277.21380 172.2
[M-H]- 253.21730 167.2
[M+NH4]+ 272.25840 185.9
[M+K]+ 293.18774 169.5
[M+H-H2O]+ 237.22184 162.4
[M+HCOO]- 299.22278 189.0
[M+CH3COO]- 313.23843 199.0
[M+Na-2H]- 275.19925 169.1
[M]+ 254.22403 174.4
[M]- 254.22513 174.4
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