CID 5283027

11-methoxy-12,13-epoxy-9-octadecenoic acid

Structural Information

Molecular Formula
C19H34O4
SMILES
CCCCCC1C(O1)C(/C=C/CCCCCCCC(=O)O)OC
InChI
InChI=1S/C19H34O4/c1-3-4-10-14-17-19(23-17)16(22-2)13-11-8-6-5-7-9-12-15-18(20)21/h11,13,16-17,19H,3-10,12,14-15H2,1-2H3,(H,20,21)/b13-11+
InChIKey
WLOMJJRDPWCKSV-ACCUITESSA-N
Compound name
(E)-11-methoxy-11-(3-pentyloxiran-2-yl)undec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.2457 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.25298 182.8
[M+Na]+ 349.23492 187.3
[M-H]- 325.23842 185.0
[M+NH4]+ 344.27952 190.7
[M+K]+ 365.20886 183.8
[M+H-H2O]+ 309.24296 175.2
[M+HCOO]- 371.24390 199.6
[M+CH3COO]- 385.25955 212.3
[M+Na-2H]- 347.22037 181.5
[M]+ 326.24515 192.3
[M]- 326.24625 192.3
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.