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]+ 202.13388 146.5
[M+Na]+ 224.11582 154.4
[M-H]- 200.11932 149.7
[M+NH4]+ 219.16042 161.7
[M+K]+ 240.08976 149.3
[M+H-H2O]+ 184.12386 132.3
[M+HCOO]- 246.12480 162.9
[M+CH3COO]- 260.14045 156.5
[M+Na-2H]- 222.10127 150.2
[M]+ 201.12605 135.6
[M]- 201.12715 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.