CID 165437918

2770353-38-1

Structural Information

Molecular Formula
C9H15NO6
SMILES
CC1(OCCO1)CC(=O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C9H15NO6/c1-9(15-2-3-16-9)4-7(11)14-5-6(10)8(12)13/h6H,2-5,10H2,1H3,(H,12,13)/t6-/m0/s1
InChIKey
IUFXEHHMPOMPBW-LURJTMIESA-N
Compound name
(2S)-2-amino-3-[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08994 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.097216 150.8
[M+Na]+ 256.079158 155.1
[M-H]- 232.082664 153.2
[M+NH4]+ 251.123763 167.7
[M+K]+ 272.053098 157.8
[M+H-H2O]+ 216.087200 146.1
[M+HCOO]- 278.088141 168.7
[M+CH3COO]- 292.103791 186.7
[M+Na-2H]- 254.064606 153.6
[M]+ 233.08939142 151.7
[M]- 233.09048858 151.7
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.