CID 7164595

3-(4-methylpiperazin-1-yl)benzonitrile

Structural Information

Molecular Formula
C12H15N3
SMILES
CN1CCN(CC1)C2=CC=CC(=C2)C#N
InChI
InChI=1S/C12H15N3/c1-14-5-7-15(8-6-14)12-4-2-3-11(9-12)10-13/h2-4,9H,5-8H2,1H3
InChIKey
OLELRAIMBYZQJO-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

201.1266 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 149.8
[M+Na]+ 224.11582 162.7
[M+NH4]+ 219.16042 154.9
[M+K]+ 240.08976 152.1
[M-H]- 200.11932 145.9
[M+Na-2H]- 222.10127 154.7
[M]+ 201.12605 149.7
[M]- 201.12715 149.7
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