CID 478965

Chembl124107

Structural Information

Molecular Formula
C10H16N2O4
SMILES
CCCCNC(=O)N1[C@@H](CC1=O)OC(=O)C
InChI
InChI=1S/C10H16N2O4/c1-3-4-5-11-10(15)12-8(14)6-9(12)16-7(2)13/h9H,3-6H2,1-2H3,(H,11,15)/t9-/m1/s1
InChIKey
ZAPQRWXWQSGTSJ-SECBINFHSA-N
Compound name
[(2R)-1-(butylcarbamoyl)-4-oxoazetidin-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.11101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.11829 152.8
[M+Na]+ 251.10023 157.2
[M-H]- 227.10373 154.6
[M+NH4]+ 246.14483 162.7
[M+K]+ 267.07417 160.2
[M+H-H2O]+ 211.10827 140.4
[M+HCOO]- 273.10921 172.4
[M+CH3COO]- 287.12486 195.3
[M+Na-2H]- 249.08568 153.5
[M]+ 228.11046 163.5
[M]- 228.11156 163.5
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

No patent data available for this compound.