CID 61778891

3-(cyclobutylamino)benzonitrile

Structural Information

Molecular Formula
C11H12N2
SMILES
C1CC(C1)NC2=CC=CC(=C2)C#N
InChI
InChI=1S/C11H12N2/c12-8-9-3-1-6-11(7-9)13-10-4-2-5-10/h1,3,6-7,10,13H,2,4-5H2
InChIKey
PJYURDCNCGPZIN-UHFFFAOYSA-N
Compound name
3-(cyclobutylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

172.10005 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 133.8
[M+Na]+ 195.08927 141.0
[M-H]- 171.09277 139.3
[M+NH4]+ 190.13387 145.9
[M+K]+ 211.06321 141.4
[M+H-H2O]+ 155.09731 116.4
[M+HCOO]- 217.09825 153.4
[M+CH3COO]- 231.11390 197.6
[M+Na-2H]- 193.07472 140.0
[M]+ 172.09950 134.3
[M]- 172.10060 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