CID 478960

Chembl123237

Structural Information

Molecular Formula

C₇H₁₀N₂O₄

SMILES

CC(=O)O[C@@H]1CC(=O)N1C(=O)NC

InChI

InChI=1S/C7H10N2O4/c1-4(10)13-6-3-5(11)9(6)7(12)8-2/h6H,3H2,1-2H3,(H,8,12)/t6-/m1/s1

InChIKey

HNBAYCIWVWPSLJ-ZCFIWIBFSA-N

Compound name

[(2R)-1-(methylcarbamoyl)-4-oxoazetidin-2-yl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 186.06406 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	187.07134	138.7
[M+Na]+	209.05328	144.4
[M-H]-	185.05678	141.1
[M+NH4]+	204.09788	150.3
[M+K]+	225.02722	148.1
[M+H-H2O]+	169.06132	126.9
[M+HCOO]-	231.06226	159.3
[M+CH3COO]-	245.07791	186.5
[M+Na-2H]-	207.03873	141.0
[M]+	186.06351	148.4
[M]-	186.06461	148.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.