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 149.4
[M+Na]+ 228.09950 156.7
[M-H]- 204.10300 150.8
[M+NH4]+ 223.14410 157.0
[M+K]+ 244.07344 158.5
[M+H-H2O]+ 188.10754 132.5
[M+HCOO]- 250.10848 155.5
[M+CH3COO]- 264.12413 212.9
[M+Na-2H]- 226.08495 149.9
[M]+ 205.10973 147.3
[M]- 205.11083 147.3
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.