CID 160903

Brn 0177510

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: 5
References: 104
Patents: 218.15315 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.16043	151.3
[M+Na]+	241.14237	155.1
[M-H]-	217.14587	153.8
[M+NH4]+	236.18697	165.7
[M+K]+	257.11631	151.4
[M+H-H2O]+	201.15041	142.1
[M+HCOO]-	263.15135	170.1
[M+CH3COO]-	277.16700	192.1
[M+Na-2H]-	239.12782	155.6
[M]+	218.15260	143.1
[M]-	218.15370	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe