CID 1519404

Tert-butyl 3-oxoazetidine-1-carboxylate

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC(C)(C)OC(=O)N1CC(=O)C1
InChI
InChI=1S/C8H13NO3/c1-8(2,3)12-7(11)9-4-6(10)5-9/h4-5H2,1-3H3
InChIKey
VMKIXWAFFVLJCK-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4636
Patents

171.08954 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 135.5
[M+Na]+ 194.07876 141.8
[M-H]- 170.08226 137.9
[M+NH4]+ 189.12336 148.4
[M+K]+ 210.05270 145.1
[M+H-H2O]+ 154.08680 125.2
[M+HCOO]- 216.08774 154.2
[M+CH3COO]- 230.10339 181.7
[M+Na-2H]- 192.06421 140.1
[M]+ 171.08899 145.6
[M]- 171.09009 145.6
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