CID 124146604

10,11-epoxy-7z-hexadecenoic acid

Structural Information

Molecular Formula
C16H28O3
SMILES
CCCCCC1C(O1)C/C=C\CCCCCC(=O)O
InChI
InChI=1S/C16H28O3/c1-2-3-8-11-14-15(19-14)12-9-6-4-5-7-10-13-16(17)18/h6,9,14-15H,2-5,7-8,10-13H2,1H3,(H,17,18)/b9-6-
InChIKey
OOBAENXGGRRPTQ-TWGQIWQCSA-N
Compound name
(Z)-9-(3-pentyloxiran-2-yl)non-7-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

268.20386 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.21114 167.0
[M+Na]+ 291.19308 173.1
[M-H]- 267.19658 169.8
[M+NH4]+ 286.23768 177.3
[M+K]+ 307.16702 169.6
[M+H-H2O]+ 251.20112 160.0
[M+HCOO]- 313.20206 185.6
[M+CH3COO]- 327.21771 201.0
[M+Na-2H]- 289.17853 168.4
[M]+ 268.20331 174.6
[M]- 268.20441 174.6
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

patents stripe