CID 68152

3-hydroxypropionic acid

Structural Information

Molecular Formula
C3H6O3
SMILES
C(CO)C(=O)O
InChI
InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)
InChIKey
ALRHLSYJTWAHJZ-UHFFFAOYSA-N
Compound name
3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

771
References

53978
Patents

90.03169 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.038966 114.3
[M+Na]+ 113.02091 121.9
[M-H]- 89.024414 112.3
[M+NH4]+ 108.06551 136.5
[M+K]+ 128.99485 121.8
[M+H-H2O]+ 73.028950 110.6
[M+HCOO]- 135.02989 135.9
[M+CH3COO]- 149.04554 158.6
[M+Na-2H]- 111.00636 120.6
[M]+ 90.031141 113.6
[M]- 90.032239 113.6
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