CID 373019

Nsc648846

Structural Information

Molecular Formula
C10H17NO5
SMILES
CC(C1C(NC1=O)CC(=O)OC)(OC)OC
InChI
InChI=1S/C10H17NO5/c1-10(15-3,16-4)8-6(11-9(8)13)5-7(12)14-2/h6,8H,5H2,1-4H3,(H,11,13)
InChIKey
HBMXNKHTZMNUSH-UHFFFAOYSA-N
Compound name
methyl 2-[3-(1,1-dimethoxyethyl)-4-oxoazetidin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.11067 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11795 150.4
[M+Na]+ 254.09989 155.5
[M-H]- 230.10339 151.1
[M+NH4]+ 249.14449 160.0
[M+K]+ 270.07383 158.6
[M+H-H2O]+ 214.10793 139.4
[M+HCOO]- 276.10887 167.1
[M+CH3COO]- 290.12452 191.7
[M+Na-2H]- 252.08534 152.8
[M]+ 231.11012 162.6
[M]- 231.11122 162.6
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.