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

4876
Patents

102.03169 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.03897 118.5
[M+Na]+ 125.02091 127.4
[M+NH4]+ 120.06551 125.0
[M+K]+ 140.99485 124.5
[M-H]- 101.02441 115.7
[M+Na-2H]- 123.00636 120.6
[M]+ 102.03114 118.5
[M]- 102.03224 118.5
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