CID 155943325

2613383-49-4

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC(C)(C)OC(=O)N1CC(C1)C#CC#C
InChI
InChI=1S/C12H15NO2/c1-5-6-7-10-8-13(9-10)11(14)15-12(2,3)4/h1,10H,8-9H2,2-4H3
InChIKey
BRKSQDXRFWPTER-UHFFFAOYSA-N
Compound name
tert-butyl 3-buta-1,3-diynylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 166.6
[M+Na]+ 228.09950 171.2
[M+NH4]+ 223.14410 164.0
[M+K]+ 244.07344 163.7
[M-H]- 204.10300 152.9
[M+Na-2H]- 226.08495 162.4
[M]+ 205.10973 161.4
[M]- 205.11083 161.4
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.