CID 5280361

(2e)-2-hydroxypenta-2,4-dienoic acid

Structural Information

Molecular Formula
C5H6O3
SMILES
C=C/C=C(\C(=O)O)/O
InChI
InChI=1S/C5H6O3/c1-2-3-4(6)5(7)8/h2-3,6H,1H2,(H,7,8)/b4-3+
InChIKey
VHTQQDXPNUTMNB-ONEGZZNKSA-N
Compound name
(2E)-2-hydroxypenta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

119
Patents

114.03169 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03897 120.9
[M+Na]+ 137.02091 128.1
[M-H]- 113.02441 118.7
[M+NH4]+ 132.06551 142.0
[M+K]+ 152.99485 126.8
[M+H-H2O]+ 97.028950 117.1
[M+HCOO]- 159.02989 141.3
[M+CH3COO]- 173.04554 163.0
[M+Na-2H]- 135.00636 124.9
[M]+ 114.03114 118.8
[M]- 114.03224 118.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe