CID 165623253

Tert-butyl n-[1-(prop-2-yn-1-yl)cyclobutyl]carbamate

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC(C)(C)OC(=O)NC1(CCC1)CC#C
InChI
InChI=1S/C12H19NO2/c1-5-7-12(8-6-9-12)13-10(14)15-11(2,3)4/h1H,6-9H2,2-4H3,(H,13,14)
InChIKey
ODAFWYDYOGMXJK-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-prop-2-ynylcyclobutyl)carbamate
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 151.3
[M+Na]+ 232.13081 155.5
[M+NH4]+ 227.17541 152.4
[M+K]+ 248.10475 148.4
[M-H]- 208.13431 141.3
[M+Na-2H]- 230.11626 150.8
[M]+ 209.14104 147.2
[M]- 209.14214 147.2
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.