CID 11480618

149099-00-3

Structural Information

Molecular Formula
C6H13NO4
SMILES
C[C@](CO)(C(=O)N(C)OC)O
InChI
InChI=1S/C6H13NO4/c1-6(10,4-8)5(9)7(2)11-3/h8,10H,4H2,1-3H3/t6-/m0/s1
InChIKey
OCUWTNWBSAMXBI-LURJTMIESA-N
Compound name
(2S)-2,3-dihydroxy-N-methoxy-N,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

163.08446 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.09174 133.7
[M+Na]+ 186.07368 139.8
[M-H]- 162.07718 132.9
[M+NH4]+ 181.11828 153.4
[M+K]+ 202.04762 141.3
[M+H-H2O]+ 146.08172 129.2
[M+HCOO]- 208.08266 154.6
[M+CH3COO]- 222.09831 177.9
[M+Na-2H]- 184.05913 138.8
[M]+ 163.08391 135.4
[M]- 163.08501 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe