CID 2332

Benzamidine

Structural Information

Molecular Formula

C₇H₈N₂

SMILES

C1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)

InChIKey

PXXJHWLDUBFPOL-UHFFFAOYSA-N

Compound name

benzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1233
References: 47474
Patents: 120.06875 Da
Monoisotopic Mass: 0.7
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]+	121.07603	122.4
[M+Na]+	143.05797	129.0
[M-H]-	119.06147	125.7
[M+NH4]+	138.10257	143.7
[M+K]+	159.03191	127.0
[M+H-H2O]+	103.06601	116.6
[M+HCOO]-	165.06695	148.2
[M+CH3COO]-	179.08260	174.2
[M+Na-2H]-	141.04342	130.0
[M]+	120.06820	117.7
[M]-	120.06930	117.7

Literature stripe

literature stripe

Patent stripe

patents stripe