CID 10413

4-hydroxybutanoic acid

Structural Information

Molecular Formula
C4H8O3
SMILES
C(CC(=O)O)CO
InChI
InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)
InChIKey
SJZRECIVHVDYJC-UHFFFAOYSA-N
Compound name
4-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

3240
References

83809
Patents

104.04734 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.05462 118.9
[M+Na]+ 127.03656 126.1
[M-H]- 103.04006 116.7
[M+NH4]+ 122.08116 140.6
[M+K]+ 143.01050 125.8
[M+H-H2O]+ 87.044600 115.1
[M+HCOO]- 149.04554 140.3
[M+CH3COO]- 163.06119 161.6
[M+Na-2H]- 125.02201 124.7
[M]+ 104.04679 118.6
[M]- 104.04789 118.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.