CID 167739794

Tert-butyl 3-(2-methyl-3-oxopropyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(CC1CN(C1)C(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C12H21NO3/c1-9(8-14)5-10-6-13(7-10)11(15)16-12(2,3)4/h8-10H,5-7H2,1-4H3
InChIKey
YNYPUZFGHACCOS-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-methyl-3-oxopropyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.159426 155.4
[M+Na]+ 250.141368 159.7
[M-H]- 226.144874 157.1
[M+NH4]+ 245.185973 166.0
[M+K]+ 266.115308 162.6
[M+H-H2O]+ 210.149410 144.3
[M+HCOO]- 272.150351 171.8
[M+CH3COO]- 286.166001 194.2
[M+Na-2H]- 248.126816 156.5
[M]+ 227.15160142 166.2
[M]- 227.15269858 166.2
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

No patent data available for this compound.