CID 199534

2-(hydroxymethyl)prop-2-enoic acid

Structural Information

Molecular Formula
C4H6O3
SMILES
C=C(CO)C(=O)O
InChI
InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h5H,1-2H2,(H,6,7)
InChIKey
AAMTXHVZOHPPQR-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

9307
Patents

102.03169 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.038966 117.6
[M+Na]+ 125.020908 124.9
[M-H]- 101.024414 115.5
[M+NH4]+ 120.065513 139.2
[M+K]+ 140.994848 124.4
[M+H-H2O]+ 85.028950 113.9
[M+HCOO]- 147.029891 138.1
[M+CH3COO]- 161.045541 161.6
[M+Na-2H]- 123.006356 122.1
[M]+ 102.03114142 115.9
[M]- 102.03223858 115.9
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