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]+ 273.159746 168.4
[M+Na]+ 295.141688 174.6
[M-H]- 271.145194 173.7
[M+NH4]+ 290.186293 178.6
[M+K]+ 311.115628 175.2
[M+H-H2O]+ 255.149730 151.2
[M+HCOO]- 317.150671 184.5
[M+CH3COO]- 331.166321 212.4
[M+Na-2H]- 293.127136 171.8
[M]+ 272.15192142 171.1
[M]- 272.15301858 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