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]+ 177.11214 139.9
[M+Na]+ 199.09408 145.3
[M-H]- 175.09758 136.9
[M+NH4]+ 194.13868 158.6
[M+K]+ 215.06802 144.5
[M+H-H2O]+ 159.10212 134.9
[M+HCOO]- 221.10306 160.1
[M+CH3COO]- 235.11871 175.8
[M+Na-2H]- 197.07953 143.6
[M]+ 176.10431 142.5
[M]- 176.10541 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.