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

9
Patents

211.12085 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 149.4
[M+Na]+ 234.11007 154.5
[M-H]- 210.11357 151.4
[M+NH4]+ 229.15467 160.7
[M+K]+ 250.08401 157.0
[M+H-H2O]+ 194.11811 138.7
[M+HCOO]- 256.11905 166.4
[M+CH3COO]- 270.13470 189.8
[M+Na-2H]- 232.09552 151.1
[M]+ 211.12030 159.2
[M]- 211.12140 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