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

1
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 150.8
[M+Na]+ 232.13081 156.9
[M-H]- 208.13431 153.1
[M+NH4]+ 227.17541 163.4
[M+K]+ 248.10475 158.6
[M+H-H2O]+ 192.13885 136.3
[M+HCOO]- 254.13979 165.0
[M+CH3COO]- 268.15544 198.3
[M+Na-2H]- 230.11626 154.4
[M]+ 209.14104 153.6
[M]- 209.14214 153.6
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.