CID 437238

2-(4-phenylpiperazin-1-yl)acetonitrile

Structural Information

Molecular Formula
C12H15N3
SMILES
C1CN(CCN1CC#N)C2=CC=CC=C2
InChI
InChI=1S/C12H15N3/c13-6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h1-5H,7-11H2
InChIKey
ONNCTSYEIOXVCV-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

36
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 143.2
[M+Na]+ 224.115818 150.7
[M-H]- 200.119324 144.8
[M+NH4]+ 219.160423 157.2
[M+K]+ 240.089758 145.9
[M+H-H2O]+ 184.123860 127.8
[M+HCOO]- 246.124801 157.9
[M+CH3COO]- 260.140451 152.9
[M+Na-2H]- 222.101266 148.4
[M]+ 201.12605142 133.8
[M]- 201.12714858 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe