CID 6441745

68443-39-0

Structural Information

Molecular Formula
C18H32O3
SMILES
CCCCCCC1C(O1)/C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C18H32O3/c1-2-3-4-10-13-16-17(21-16)14-11-8-6-5-7-9-12-15-18(19)20/h11,14,16-17H,2-10,12-13,15H2,1H3,(H,19,20)/b14-11+
InChIKey
NCBVCZKRENJKAR-SDNWHVSQSA-N
Compound name
(E)-10-(3-hexyloxiran-2-yl)dec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.23514 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.242416 175.4
[M+Na]+ 319.224358 180.7
[M-H]- 295.227864 177.8
[M+NH4]+ 314.268963 184.6
[M+K]+ 335.198298 176.7
[M+H-H2O]+ 279.232400 168.0
[M+HCOO]- 341.233341 193.4
[M+CH3COO]- 355.248991 206.7
[M+Na-2H]- 317.209806 175.8
[M]+ 296.23459142 183.7
[M]- 296.23568858 183.7
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.