CID 13536808

2-hydroxypent-3-enoic acid

Structural Information

Molecular Formula
C5H8O3
SMILES
C/C=C/C(C(=O)O)O
InChI
InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-4,6H,1H3,(H,7,8)/b3-2+
InChIKey
CISWUHBXRKFIDA-NSCUHMNNSA-N
Compound name
(E)-2-hydroxypent-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

116.04734 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.054616 122.5
[M+Na]+ 139.036558 129.4
[M-H]- 115.040064 120.3
[M+NH4]+ 134.081163 143.6
[M+K]+ 155.010498 128.7
[M+H-H2O]+ 99.044600 118.6
[M+HCOO]- 161.045541 142.7
[M+CH3COO]- 175.061191 164.0
[M+Na-2H]- 137.022006 126.5
[M]+ 116.04679142 121.1
[M]- 116.04788858 121.1
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

patents stripe