CID 373017

Nsc648844

Structural Information

Molecular Formula
C10H15NO5
SMILES
CC1(OCCO1)C2C(NC2=O)CC(=O)OC
InChI
InChI=1S/C10H15NO5/c1-10(15-3-4-16-10)8-6(11-9(8)13)5-7(12)14-2/h6,8H,3-5H2,1-2H3,(H,11,13)
InChIKey
RADSUPFKGXFKEK-UHFFFAOYSA-N
Compound name
methyl 2-[3-(2-methyl-1,3-dioxolan-2-yl)-4-oxoazetidin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.09502 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.10230 143.0
[M+Na]+ 252.08424 147.8
[M-H]- 228.08774 148.0
[M+NH4]+ 247.12884 153.4
[M+K]+ 268.05818 152.2
[M+H-H2O]+ 212.09228 133.5
[M+HCOO]- 274.09322 159.0
[M+CH3COO]- 288.10887 187.7
[M+Na-2H]- 250.06969 146.4
[M]+ 229.09447 152.8
[M]- 229.09557 152.8
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.