CID 165467178

Tert-butyl 3-(3-oxobutyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(=O)CCC1CN(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO3/c1-9(14)5-6-10-7-13(8-10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3
InChIKey
GEYRYSQGSMGJFU-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-oxobutyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

227.15215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 155.4
[M+Na]+ 250.14137 159.7
[M-H]- 226.14487 157.1
[M+NH4]+ 245.18597 166.0
[M+K]+ 266.11531 162.6
[M+H-H2O]+ 210.14941 144.3
[M+HCOO]- 272.15035 171.8
[M+CH3COO]- 286.16600 194.2
[M+Na-2H]- 248.12682 156.5
[M]+ 227.15160 166.2
[M]- 227.15270 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

patents stripe