CID 73553398

Tert-butyl 3-(2-oxopropylidene)azetidine-1-carboxylate

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(=O)C=C1CN(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H17NO3/c1-8(13)5-9-6-12(7-9)10(14)15-11(2,3)4/h5H,6-7H2,1-4H3
InChIKey
DEVCTNUHSKDNML-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-oxopropylidene)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

211.12085 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 149.4
[M+Na]+ 234.110068 154.5
[M-H]- 210.113574 151.4
[M+NH4]+ 229.154673 160.7
[M+K]+ 250.084008 157.0
[M+H-H2O]+ 194.118110 138.7
[M+HCOO]- 256.119051 166.4
[M+CH3COO]- 270.134701 189.8
[M+Na-2H]- 232.095516 151.1
[M]+ 211.12030142 159.2
[M]- 211.12139858 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe