CID 5363518

Z-8-tetradecenyl acetate

Structural Information

Molecular Formula
C16H30O2
SMILES
CCCCC/C=C\CCCCCCCOC(=O)C
InChI
InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h7-8H,3-6,9-15H2,1-2H3/b8-7-
InChIKey
VZGHIFSDFDWSOD-FPLPWBNLSA-N
Compound name
[(Z)-tetradec-8-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

187
Patents

254.22458 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.23186 167.3
[M+Na]+ 277.21380 175.8
[M+NH4]+ 272.25840 173.3
[M+K]+ 293.18774 168.1
[M-H]- 253.21730 165.9
[M+Na-2H]- 275.19925 168.4
[M]+ 254.22403 167.8
[M]- 254.22513 167.8
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