CID 54593428

1-benzylpiperazine-2-carbonitrile

Structural Information

Molecular Formula
C12H15N3
SMILES
C1CN(C(CN1)C#N)CC2=CC=CC=C2
InChI
InChI=1S/C12H15N3/c13-8-12-9-14-6-7-15(12)10-11-4-2-1-3-5-11/h1-5,12,14H,6-7,9-10H2
InChIKey
MOMSBIHYBJLWOL-UHFFFAOYSA-N
Compound name
1-benzylpiperazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

201.1266 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.133876 144.6
[M+Na]+ 224.115818 151.8
[M-H]- 200.119324 145.1
[M+NH4]+ 219.160423 158.1
[M+K]+ 240.089758 146.2
[M+H-H2O]+ 184.123860 129.6
[M+HCOO]- 246.124801 158.0
[M+CH3COO]- 260.140451 153.7
[M+Na-2H]- 222.101266 149.3
[M]+ 201.12605142 133.6
[M]- 201.12714858 133.6
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