CID 118025

33065-62-2

Structural Information

Molecular Formula
C8H16O4
SMILES
C=CCOCC(COCCO)O
InChI
InChI=1S/C8H16O4/c1-2-4-11-6-8(10)7-12-5-3-9/h2,8-10H,1,3-7H2
InChIKey
HVVONODVUCPCIR-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxy)-3-prop-2-enoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.10486 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.112136 139.9
[M+Na]+ 199.094078 145.3
[M-H]- 175.097584 136.9
[M+NH4]+ 194.138683 158.6
[M+K]+ 215.068018 144.5
[M+H-H2O]+ 159.102120 134.9
[M+HCOO]- 221.103061 160.1
[M+CH3COO]- 235.118711 175.8
[M+Na-2H]- 197.079526 143.6
[M]+ 176.10431142 142.5
[M]- 176.10540858 142.5
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.