CID 118798171

1638767-63-1

Structural Information

Molecular Formula
C12H19NO2
SMILES
CCC1(CN(C1)C(=O)OC(C)(C)C)C#C
InChI
InChI=1S/C12H19NO2/c1-6-12(7-2)8-13(9-12)10(14)15-11(3,4)5/h1H,7-9H2,2-5H3
InChIKey
NICSIHBXMSGFFK-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethyl-3-ethynylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 147.2
[M+Na]+ 232.13081 152.7
[M+NH4]+ 227.17541 148.1
[M+K]+ 248.10475 145.8
[M-H]- 208.13431 136.4
[M+Na-2H]- 230.11626 146.8
[M]+ 209.14104 143.1
[M]- 209.14214 143.1
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.