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

127
Patents

254.22458 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.231856 168.6
[M+Na]+ 277.213798 172.2
[M-H]- 253.217304 167.2
[M+NH4]+ 272.258403 185.9
[M+K]+ 293.187738 169.5
[M+H-H2O]+ 237.221840 162.4
[M+HCOO]- 299.222781 189.0
[M+CH3COO]- 313.238431 199.0
[M+Na-2H]- 275.199246 169.1
[M]+ 254.22403142 174.4
[M]- 254.22512858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.