CID 21768312

2-(1-benzylpiperazin-2-yl)acetonitrile dihydrochloride

Structural Information

Molecular Formula
C13H17N3
SMILES
C1CN(C(CN1)CC#N)CC2=CC=CC=C2
InChI
InChI=1S/C13H17N3/c14-7-6-13-10-15-8-9-16(13)11-12-4-2-1-3-5-12/h1-5,13,15H,6,8-11H2
InChIKey
RSBDWVSKPHPULI-UHFFFAOYSA-N
Compound name
2-(1-benzylpiperazin-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.14224 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 148.4
[M+Na]+ 238.131458 155.2
[M-H]- 214.134964 148.7
[M+NH4]+ 233.176063 161.3
[M+K]+ 254.105398 149.4
[M+H-H2O]+ 198.139500 133.2
[M+HCOO]- 260.140441 161.5
[M+CH3COO]- 274.156091 157.1
[M+Na-2H]- 236.116906 152.6
[M]+ 215.14169142 137.6
[M]- 215.14278858 137.6
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

No patent data available for this compound.