CID 53484544

Tert-butyl 3-(oxiran-2-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C10H17NO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2CO2
InChI
InChI=1S/C10H17NO3/c1-10(2,3)14-9(12)11-4-7(5-11)8-6-13-8/h7-8H,4-6H2,1-3H3
InChIKey
VFCWZJWPTJLIQR-UHFFFAOYSA-N
Compound name
tert-butyl 3-(oxiran-2-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.128126 144.2
[M+Na]+ 222.110068 151.3
[M-H]- 198.113574 150.9
[M+NH4]+ 217.154673 150.5
[M+K]+ 238.084008 154.2
[M+H-H2O]+ 182.118110 132.8
[M+HCOO]- 244.119051 161.6
[M+CH3COO]- 258.134701 190.0
[M+Na-2H]- 220.095516 149.1
[M]+ 199.12030142 157.0
[M]- 199.12139858 157.0
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

No patent data available for this compound.