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]+ 267.195476 166.1
[M+Na]+ 289.177418 172.6
[M-H]- 265.180924 169.0
[M+NH4]+ 284.222023 176.5
[M+K]+ 305.151358 168.4
[M+H-H2O]+ 249.185460 159.2
[M+HCOO]- 311.186401 184.9
[M+CH3COO]- 325.202051 199.6
[M+Na-2H]- 287.162866 167.5
[M]+ 266.18765142 172.9
[M]- 266.18874858 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.