CID 43345826

2-[(piperidin-4-yl)amino]benzonitrile dihydrochloride

Structural Information

Molecular Formula
C12H15N3
SMILES
C1CNCCC1NC2=CC=CC=C2C#N
InChI
InChI=1S/C12H15N3/c13-9-10-3-1-2-4-12(10)15-11-5-7-14-8-6-11/h1-4,11,14-15H,5-8H2
InChIKey
UQRMBSSQGSUVTJ-UHFFFAOYSA-N
Compound name
2-(piperidin-4-ylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

201.1266 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 146.5
[M+Na]+ 224.11582 153.2
[M-H]- 200.11932 148.5
[M+NH4]+ 219.16042 161.0
[M+K]+ 240.08976 147.5
[M+H-H2O]+ 184.12386 132.3
[M+HCOO]- 246.12480 162.1
[M+CH3COO]- 260.14045 155.8
[M+Na-2H]- 222.10127 151.4
[M]+ 201.12605 134.5
[M]- 201.12715 134.5
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