CID 495286

Nsc648847

Structural Information

Molecular Formula
C8H13NO4
SMILES
CC(C1C(NC1=O)CC(=O)OC)O
InChI
InChI=1S/C8H13NO4/c1-4(10)7-5(9-8(7)12)3-6(11)13-2/h4-5,7,10H,3H2,1-2H3,(H,9,12)
InChIKey
HWGNGWLCPQJQBO-UHFFFAOYSA-N
Compound name
methyl 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

187.08446 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09174 141.7
[M+Na]+ 210.07368 146.8
[M-H]- 186.07718 141.2
[M+NH4]+ 205.11828 152.2
[M+K]+ 226.04762 149.0
[M+H-H2O]+ 170.08172 130.8
[M+HCOO]- 232.08266 157.9
[M+CH3COO]- 246.09831 181.9
[M+Na-2H]- 208.05913 142.2
[M]+ 187.08391 149.7
[M]- 187.08501 149.7
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.