CID 19816275

Sodium 4-[(2-hydroxyethyl)amino]butanoate

Structural Information

Molecular Formula
C6H13NO3
SMILES
C(CC(=O)O)CNCCO
InChI
InChI=1S/C6H13NO3/c8-5-4-7-3-1-2-6(9)10/h7-8H,1-5H2,(H,9,10)
InChIKey
QICJKRUBYXCVLU-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

147.08954 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09682 131.9
[M+Na]+ 170.07876 137.3
[M-H]- 146.08226 129.2
[M+NH4]+ 165.12336 151.3
[M+K]+ 186.05270 136.4
[M+H-H2O]+ 130.08680 126.9
[M+HCOO]- 192.08774 153.5
[M+CH3COO]- 206.10339 172.7
[M+Na-2H]- 168.06421 136.7
[M]+ 147.08899 131.4
[M]- 147.09009 131.4
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.