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]+ 234.09722 150.8
[M+Na]+ 256.07916 155.1
[M-H]- 232.08266 153.2
[M+NH4]+ 251.12376 167.7
[M+K]+ 272.05310 157.8
[M+H-H2O]+ 216.08720 146.1
[M+HCOO]- 278.08814 168.7
[M+CH3COO]- 292.10379 186.7
[M+Na-2H]- 254.06461 153.6
[M]+ 233.08939 151.7
[M]- 233.09049 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.