CID 56935977

We(1:0/14:1(11e)(7ke))

Structural Information

Molecular Formula
C15H26O3
SMILES
CC/C=C/CCCC(=O)CCCCCC(=O)OC
InChI
InChI=1S/C15H26O3/c1-3-4-5-6-8-11-14(16)12-9-7-10-13-15(17)18-2/h4-5H,3,6-13H2,1-2H3/b5-4+
InChIKey
VXYDRFPPIDYAPI-SNAWJCMRSA-N
Compound name
methyl (E)-7-oxotetradec-11-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1882 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.19548 165.6
[M+Na]+ 277.17742 169.7
[M-H]- 253.18092 164.5
[M+NH4]+ 272.22202 182.7
[M+K]+ 293.15136 167.6
[M+H-H2O]+ 237.18546 159.5
[M+HCOO]- 299.18640 185.8
[M+CH3COO]- 313.20205 197.8
[M+Na-2H]- 275.16287 165.5
[M]+ 254.18765 171.2
[M]- 254.18875 171.2
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.