CID 61779466

4-(cyclobutylamino)benzonitrile

Structural Information

Molecular Formula
C11H12N2
SMILES
C1CC(C1)NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C11H12N2/c12-8-9-4-6-11(7-5-9)13-10-2-1-3-10/h4-7,10,13H,1-3H2
InChIKey
NESAEIGXYQOLME-UHFFFAOYSA-N
Compound name
4-(cyclobutylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

172.10005 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.107326 133.8
[M+Na]+ 195.089268 141.0
[M-H]- 171.092774 139.3
[M+NH4]+ 190.133873 145.9
[M+K]+ 211.063208 141.4
[M+H-H2O]+ 155.097310 116.4
[M+HCOO]- 217.098251 153.4
[M+CH3COO]- 231.113901 197.6
[M+Na-2H]- 193.074716 140.0
[M]+ 172.09950142 134.3
[M]- 172.10059858 134.3
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