CID 23293086

2-(cyclobutylamino)benzonitrile

Structural Information

Molecular Formula
C11H12N2
SMILES
C1CC(C1)NC2=CC=CC=C2C#N
InChI
InChI=1S/C11H12N2/c12-8-9-4-1-2-7-11(9)13-10-5-3-6-10/h1-2,4,7,10,13H,3,5-6H2
InChIKey
JXDOXDIPGYSKIS-UHFFFAOYSA-N
Compound name
2-(cyclobutylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

172.10005 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 142.5
[M+Na]+ 195.08927 150.3
[M+NH4]+ 190.13387 144.9
[M+K]+ 211.06321 141.9
[M-H]- 171.09277 137.4
[M+Na-2H]- 193.07472 145.7
[M]+ 172.09950 140.3
[M]- 172.10060 140.3
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