CID 131839785

13,14-epoxy-7z,10z-hexadecenoic acid

Structural Information

Molecular Formula
C16H26O3
SMILES
CCC1C(O1)C/C=C\C/C=C\CCCCCC(=O)O
InChI
InChI=1S/C16H26O3/c1-2-14-15(19-14)12-10-8-6-4-3-5-7-9-11-13-16(17)18/h3-4,8,10,14-15H,2,5-7,9,11-13H2,1H3,(H,17,18)/b4-3-,10-8-
InChIKey
DEYUZONFWPPQHC-YHOGECKDSA-N
Compound name
(7Z,10Z)-12-(3-ethyloxiran-2-yl)dodeca-7,10-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1882 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.19548 166.1
[M+Na]+ 289.17742 172.6
[M-H]- 265.18092 169.0
[M+NH4]+ 284.22202 176.5
[M+K]+ 305.15136 168.4
[M+H-H2O]+ 249.18546 159.2
[M+HCOO]- 311.18640 184.9
[M+CH3COO]- 325.20205 199.6
[M+Na-2H]- 287.16287 167.5
[M]+ 266.18765 172.9
[M]- 266.18875 172.9
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.