CID 28413630

Sodium 4-(2-hydroxyethoxy)butanoate

Structural Information

Molecular Formula
C6H12O4
SMILES
C(CC(=O)O)COCCO
InChI
InChI=1S/C6H12O4/c7-3-5-10-4-1-2-6(8)9/h7H,1-5H2,(H,8,9)
InChIKey
KZMWNYFZQFEPEF-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

148.07356 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.080836 130.7
[M+Na]+ 171.062778 137.0
[M-H]- 147.066284 128.1
[M+NH4]+ 166.107383 150.5
[M+K]+ 187.036718 136.6
[M+H-H2O]+ 131.070820 126.1
[M+HCOO]- 193.071761 151.6
[M+CH3COO]- 207.087411 169.8
[M+Na-2H]- 169.048226 135.5
[M]+ 148.07301142 132.6
[M]- 148.07410858 132.6
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

patents stripe