CID 21388465

2-(4-chlorophenyl)-2-(piperazin-1-yl)acetonitrile

Structural Information

Molecular Formula
C12H14ClN3
SMILES
C1CN(CCN1)C(C#N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H14ClN3/c13-11-3-1-10(2-4-11)12(9-14)16-7-5-15-6-8-16/h1-4,12,15H,5-8H2
InChIKey
MORGXQASWFOWQP-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-piperazin-1-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

235.08763 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09491 151.3
[M+Na]+ 258.07685 159.0
[M-H]- 234.08035 151.6
[M+NH4]+ 253.12145 164.2
[M+K]+ 274.05079 152.1
[M+H-H2O]+ 218.08489 136.8
[M+HCOO]- 280.08583 159.6
[M+CH3COO]- 294.10148 159.9
[M+Na-2H]- 256.06230 154.4
[M]+ 235.08708 141.5
[M]- 235.08818 141.5
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