CID 478968

Chembl122731

Structural Information

Molecular Formula
C11H18N2O4
SMILES
CCC1([C@H](N(C1=O)C(=O)NC)OC(=O)C)CC
InChI
InChI=1S/C11H18N2O4/c1-5-11(6-2)8(15)13(10(16)12-4)9(11)17-7(3)14/h9H,5-6H2,1-4H3,(H,12,16)/t9-/m1/s1
InChIKey
RNFWBGVLHISBDV-SECBINFHSA-N
Compound name
[(2R)-3,3-diethyl-1-(methylcarbamoyl)-4-oxoazetidin-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.12666 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13394 156.9
[M+Na]+ 265.11588 162.6
[M-H]- 241.11938 159.3
[M+NH4]+ 260.16048 168.6
[M+K]+ 281.08982 165.6
[M+H-H2O]+ 225.12392 146.4
[M+HCOO]- 287.12486 176.1
[M+CH3COO]- 301.14051 199.0
[M+Na-2H]- 263.10133 157.8
[M]+ 242.12611 168.7
[M]- 242.12721 168.7
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

No patent data available for this compound.