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

28
Patents

116.04734 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.05462 122.5
[M+Na]+ 139.03656 129.4
[M-H]- 115.04006 120.3
[M+NH4]+ 134.08116 143.6
[M+K]+ 155.01050 128.7
[M+H-H2O]+ 99.044600 118.6
[M+HCOO]- 161.04554 142.7
[M+CH3COO]- 175.06119 164.0
[M+Na-2H]- 137.02201 126.5
[M]+ 116.04679 121.1
[M]- 116.04789 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