CID 165621182

Tert-butyl 3-(but-3-yn-2-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC(C#C)C1CN(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H19NO2/c1-6-9(2)10-7-13(8-10)11(14)15-12(3,4)5/h1,9-10H,7-8H2,2-5H3
InChIKey
BHEBQDGZIHQEND-UHFFFAOYSA-N
Compound name
tert-butyl 3-but-3-yn-2-ylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 146.4
[M+Na]+ 232.13081 152.6
[M-H]- 208.13431 147.2
[M+NH4]+ 227.17541 156.4
[M+K]+ 248.10475 155.5
[M+H-H2O]+ 192.13885 130.4
[M+HCOO]- 254.13979 157.7
[M+CH3COO]- 268.15544 198.6
[M+Na-2H]- 230.11626 147.4
[M]+ 209.14104 149.7
[M]- 209.14214 149.7
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.