CID 5232000

N-glycolyl-2-amino-1-butanol

Structural Information

Molecular Formula
C6H13NO3
SMILES
CCC(CO)NC(=O)CO
InChI
InChI=1S/C6H13NO3/c1-2-5(3-8)7-6(10)4-9/h5,8-9H,2-4H2,1H3,(H,7,10)
InChIKey
WAUQXKINYVHBDD-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(1-hydroxybutan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

147.08954 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09682 132.8
[M+Na]+ 170.07876 138.1
[M-H]- 146.08226 130.3
[M+NH4]+ 165.12336 152.3
[M+K]+ 186.05270 137.7
[M+H-H2O]+ 130.08680 128.0
[M+HCOO]- 192.08774 153.5
[M+CH3COO]- 206.10339 172.9
[M+Na-2H]- 168.06421 136.3
[M]+ 147.08899 131.6
[M]- 147.09009 131.6
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.