CID 57352004

3-hydroxybut-2-enoic acid

Structural Information

Molecular Formula
C4H6O3
SMILES
CC(=CC(=O)O)O
InChI
InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2,5H,1H3,(H,6,7)
InChIKey
NVPCGXUWUBHZBD-UHFFFAOYSA-N
Compound name
3-hydroxybut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

102.03169 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.03897 117.8
[M+Na]+ 125.02091 125.2
[M-H]- 101.02441 115.8
[M+NH4]+ 120.06551 139.5
[M+K]+ 140.99485 124.7
[M+H-H2O]+ 85.028950 114.1
[M+HCOO]- 147.02989 138.4
[M+CH3COO]- 161.04554 160.9
[M+Na-2H]- 123.00636 122.3
[M]+ 102.03114 116.0
[M]- 102.03224 116.0
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