CID 6480493

Chembl458640

Structural Information

Molecular Formula
C6H13NO4
SMILES
CC(CO)(CO)NC(=O)CO
InChI
InChI=1S/C6H13NO4/c1-6(3-9,4-10)7-5(11)2-8/h8-10H,2-4H2,1H3,(H,7,11)
InChIKey
SRAWRLIXXMDDGD-UHFFFAOYSA-N
Compound name
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

163.08446 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.09174 135.1
[M+Na]+ 186.07368 140.5
[M-H]- 162.07718 131.3
[M+NH4]+ 181.11828 153.3
[M+K]+ 202.04762 139.7
[M+H-H2O]+ 146.08172 130.8
[M+HCOO]- 208.08266 153.9
[M+CH3COO]- 222.09831 172.0
[M+Na-2H]- 184.05913 140.2
[M]+ 163.08391 133.6
[M]- 163.08501 133.6
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.