CID 44195530

Tert-butyl 3-(2-ethoxy-2-oxoethylidene)azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H19NO4
SMILES
CCOC(=O)C=C1CN(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H19NO4/c1-5-16-10(14)6-9-7-13(8-9)11(15)17-12(2,3)4/h6H,5,7-8H2,1-4H3
InChIKey
WYWJZDFQQJTRDD-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-ethoxy-2-oxoethylidene)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

241.13141 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.138686 156.7
[M+Na]+ 264.120628 161.2
[M-H]- 240.124134 158.4
[M+NH4]+ 259.165233 166.7
[M+K]+ 280.094568 164.1
[M+H-H2O]+ 224.128670 145.5
[M+HCOO]- 286.129611 173.5
[M+CH3COO]- 300.145261 194.1
[M+Na-2H]- 262.106076 157.9
[M]+ 241.13086142 168.1
[M]- 241.13195858 168.1
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