CID 5367713

(e)-12-tetradecen-1-yl acetate

Structural Information

Molecular Formula
C16H30O2
SMILES
C/C=C\CCCCCCCCCCCOC(=O)C
InChI
InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4H,5-15H2,1-2H3/b4-3-
InChIKey
CRJBZFQLVNBSHX-ARJAWSKDSA-N
Compound name
[(Z)-tetradec-12-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

125
Patents

254.22458 Da
Monoisotopic Mass

6.0
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