CID 160903

7773-69-5

Structural Information

Molecular Formula
C12H18N4
SMILES
C1CN(CCN1CC2=CC=CC=C2)C(=N)N
InChI
InChI=1S/C12H18N4/c13-12(14)16-8-6-15(7-9-16)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H3,13,14)
InChIKey
GQXJKWWOHZLFEG-UHFFFAOYSA-N
Compound name
4-benzylpiperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

94
Patents

218.15315 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.160426 151.3
[M+Na]+ 241.142368 155.1
[M-H]- 217.145874 153.8
[M+NH4]+ 236.186973 165.7
[M+K]+ 257.116308 151.4
[M+H-H2O]+ 201.150410 142.1
[M+HCOO]- 263.151351 170.1
[M+CH3COO]- 277.167001 192.1
[M+Na-2H]- 239.127816 155.6
[M]+ 218.15260142 143.1
[M]- 218.15369858 143.1
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