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]+ 162.07608 134.3
[M+Na]+ 184.05802 139.0
[M-H]- 160.06152 136.7
[M+NH4]+ 179.10262 152.2
[M+K]+ 200.03196 141.0
[M+H-H2O]+ 144.06606 128.9
[M+HCOO]- 206.06700 153.5
[M+CH3COO]- 220.08265 174.1
[M+Na-2H]- 182.04347 138.0
[M]+ 161.06825 132.1
[M]- 161.06935 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