CID 25945

5-hydroxypentanoic acid

Structural Information

Molecular Formula
C5H10O3
SMILES
C(CCO)CC(=O)O
InChI
InChI=1S/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8)
InChIKey
PHOJOSOUIAQEDH-UHFFFAOYSA-N
Compound name
5-hydroxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

34028
Patents

118.062996 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.07027 123.6
[M+Na]+ 141.05221 130.4
[M-H]- 117.05572 121.2
[M+NH4]+ 136.09682 144.6
[M+K]+ 157.02615 129.8
[M+H-H2O]+ 101.06026 119.5
[M+HCOO]- 163.06120 144.6
[M+CH3COO]- 177.07685 164.7
[M+Na-2H]- 139.03766 128.8
[M]+ 118.06245 123.6
[M]- 118.06354 123.6
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