CID 54017334

114750-88-8

Structural Information

Molecular Formula
C6H11NO4
SMILES
C1COC(O1)C[C@@H](C(=O)O)N
InChI
InChI=1S/C6H11NO4/c7-4(6(8)9)3-5-10-1-2-11-5/h4-5H,1-3,7H2,(H,8,9)/t4-/m0/s1
InChIKey
KWMXUBMBKKKHIE-BYPYZUCNSA-N
Compound name
(2S)-2-amino-3-(1,3-dioxolan-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

161.0688 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.076076 134.3
[M+Na]+ 184.058018 139.0
[M-H]- 160.061524 136.7
[M+NH4]+ 179.102623 152.2
[M+K]+ 200.031958 141.0
[M+H-H2O]+ 144.066060 128.9
[M+HCOO]- 206.067001 153.5
[M+CH3COO]- 220.082651 174.1
[M+Na-2H]- 182.043466 138.0
[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