CID 46856381

1032349-97-5

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CC(C)(C)OC(=O)NC1(CCC1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C16H20N2O2/c1-15(2,3)20-14(19)18-16(9-4-10-16)13-7-5-12(11-17)6-8-13/h5-8H,4,9-10H2,1-3H3,(H,18,19)
InChIKey
MVZPOTHSWMRTJZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(4-cyanophenyl)cyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

272.15247 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 168.4
[M+Na]+ 295.14169 174.6
[M-H]- 271.14519 173.7
[M+NH4]+ 290.18629 178.6
[M+K]+ 311.11563 175.2
[M+H-H2O]+ 255.14973 151.2
[M+HCOO]- 317.15067 184.5
[M+CH3COO]- 331.16632 212.4
[M+Na-2H]- 293.12714 171.8
[M]+ 272.15192 171.1
[M]- 272.15302 171.1
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

patents stripe