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

20
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 143.4
[M+Na]+ 224.11582 151.8
[M-H]- 200.11932 145.4
[M+NH4]+ 219.16042 157.8
[M+K]+ 240.08976 147.0
[M+H-H2O]+ 184.12386 128.3
[M+HCOO]- 246.12480 158.2
[M+CH3COO]- 260.14045 153.5
[M+Na-2H]- 222.10127 147.9
[M]+ 201.12605 134.4
[M]- 201.12715 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