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

26
Patents

201.1266 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.133876 143.4
[M+Na]+ 224.115818 151.8
[M-H]- 200.119324 145.4
[M+NH4]+ 219.160423 157.8
[M+K]+ 240.089758 147.0
[M+H-H2O]+ 184.123860 128.3
[M+HCOO]- 246.124801 158.2
[M+CH3COO]- 260.140451 153.5
[M+Na-2H]- 222.101266 147.9
[M]+ 201.12605142 134.4
[M]- 201.12714858 134.4
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