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 146.0
[M+Na]+ 232.13081 153.6
[M-H]- 208.13431 147.3
[M+NH4]+ 227.17541 158.1
[M+K]+ 248.10475 155.6
[M+H-H2O]+ 192.13885 131.5
[M+HCOO]- 254.13979 158.4
[M+CH3COO]- 268.15544 197.4
[M+Na-2H]- 230.11626 149.3
[M]+ 209.14104 150.4
[M]- 209.14214 150.4
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.