CID 10448019

56522-15-7

Structural Information

Molecular Formula
C19H32O3
SMILES
CCCCCCCCCCCCC/C=C\1/C(C(=C)OC1=O)O
InChI
InChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15,18,20H,2-14H2,1H3/b17-15-
InChIKey
FCLYKYQBTSMTJB-ICFOKQHNSA-N
Compound name
(3Z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.23514 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.242416 180.4
[M+Na]+ 331.224358 184.7
[M-H]- 307.227864 181.6
[M+NH4]+ 326.268963 195.6
[M+K]+ 347.198298 180.5
[M+H-H2O]+ 291.232400 174.4
[M+HCOO]- 353.233341 198.2
[M+CH3COO]- 367.248991 206.1
[M+Na-2H]- 329.209806 177.8
[M]+ 308.23459142 183.8
[M]- 308.23568858 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.