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

literature stripe

Patent stripe

patents stripe