CID 68482577

3-(1-aminocyclobutyl)benzonitrile hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

172.10005 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.107326 137.9
[M+Na]+ 195.089268 146.2
[M-H]- 171.092774 143.5
[M+NH4]+ 190.133873 151.7
[M+K]+ 211.063208 145.8
[M+H-H2O]+ 155.097310 121.5
[M+HCOO]- 217.098251 157.0
[M+CH3COO]- 231.113901 196.6
[M+Na-2H]- 193.074716 143.8
[M]+ 172.09950142 137.9
[M]- 172.10059858 137.9
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