CID 129626657

Chebi:137469

Structural Information

Molecular Formula
C18H32O4
SMILES
C(CCC/C=C\CC1C(O1)CCCCCO)CCCC(=O)O
InChI
InChI=1S/C18H32O4/c19-15-11-7-9-13-17-16(22-17)12-8-5-3-1-2-4-6-10-14-18(20)21/h5,8,16-17,19H,1-4,6-7,9-15H2,(H,20,21)/b8-5-
InChIKey
QOUKBWWKBHWVNI-YVMONPNESA-N
Compound name
(Z)-11-[3-(5-hydroxypentyl)oxiran-2-yl]undec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.23007 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.23735 177.5
[M+Na]+ 335.21929 182.2
[M-H]- 311.22279 178.4
[M+NH4]+ 330.26389 185.3
[M+K]+ 351.19323 177.7
[M+H-H2O]+ 295.22733 170.2
[M+HCOO]- 357.22827 194.2
[M+CH3COO]- 371.24392 206.3
[M+Na-2H]- 333.20474 177.5
[M]+ 312.22952 185.4
[M]- 312.23062 185.4
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.