CID 166432670

Tert-butyl 3-cyclopropyl-3-formylazetidine-1-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C=O)C2CC2
InChI
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-6-12(7-13,8-14)9-4-5-9/h8-9H,4-7H2,1-3H3
InChIKey
PEZVBJKPOYUZMG-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyclopropyl-3-formylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.143766 155.6
[M+Na]+ 248.125708 162.7
[M-H]- 224.129214 161.6
[M+NH4]+ 243.170313 163.9
[M+K]+ 264.099648 164.2
[M+H-H2O]+ 208.133750 145.8
[M+HCOO]- 270.134691 173.0
[M+CH3COO]- 284.150341 194.3
[M+Na-2H]- 246.111156 159.4
[M]+ 225.13594142 168.2
[M]- 225.13703858 168.2
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.