CID 348089

2-acetamido-3-hydroxy-2-methylpropanoic acid

Structural Information

Molecular Formula
C6H11NO4
SMILES
CC(=O)NC(C)(CO)C(=O)O
InChI
InChI=1S/C6H11NO4/c1-4(9)7-6(2,3-8)5(10)11/h8H,3H2,1-2H3,(H,7,9)(H,10,11)
InChIKey
ZORCAFBRVKRMLT-UHFFFAOYSA-N
Compound name
2-acetamido-3-hydroxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

161.0688 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.076076 133.0
[M+Na]+ 184.058018 138.9
[M-H]- 160.061524 130.7
[M+NH4]+ 179.102623 151.9
[M+K]+ 200.031958 138.9
[M+H-H2O]+ 144.066060 128.8
[M+HCOO]- 206.067001 152.6
[M+CH3COO]- 220.082651 174.5
[M+Na-2H]- 182.043466 137.5
[M]+ 161.06825142 132.1
[M]- 161.06934858 132.1
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