CID 643791

X5us2r5zcx

Structural Information

Molecular Formula
C5H8O2
SMILES
C/C(=C/C(=O)C)/O
InChI
InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3,6H,1-2H3/b4-3-
InChIKey
POILWHVDKZOXJZ-ARJAWSKDSA-N
Compound name
(Z)-4-hydroxypent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

119
References

157649
Patents

100.05243 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.059706 118.4
[M+Na]+ 123.041648 125.9
[M-H]- 99.045154 117.8
[M+NH4]+ 118.086253 141.0
[M+K]+ 139.015588 125.7
[M+H-H2O]+ 83.049690 114.7
[M+HCOO]- 145.050631 140.0
[M+CH3COO]- 159.066281 164.5
[M+Na-2H]- 121.027096 123.1
[M]+ 100.05188142 117.5
[M]- 100.05297858 117.5
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.