CID 50989734

2309457-17-6

Structural Information

Molecular Formula
C12H15N3
SMILES
C1CC(CN(C1)C2=CC=CC=C2C#N)N
InChI
InChI=1S/C12H15N3/c13-8-10-4-1-2-6-12(10)15-7-3-5-11(14)9-15/h1-2,4,6,11H,3,5,7,9,14H2
InChIKey
ARHNNFGUPRUJAY-UHFFFAOYSA-N
Compound name
2-(3-aminopiperidin-1-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.1266 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.133876 146.5
[M+Na]+ 224.115818 154.4
[M-H]- 200.119324 149.7
[M+NH4]+ 219.160423 161.7
[M+K]+ 240.089758 149.3
[M+H-H2O]+ 184.123860 132.3
[M+HCOO]- 246.124801 162.9
[M+CH3COO]- 260.140451 156.5
[M+Na-2H]- 222.101266 150.2
[M]+ 201.12605142 135.6
[M]- 201.12714858 135.6
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

No patent data available for this compound.