CID 56204

91267-29-7

Structural Information

Molecular Formula

C₉H₁₃N₃

SMILES

CC1=CC(=CC=C1)CN=C(N)N

InChI

InChI=1S/C9H13N3/c1-7-3-2-4-8(5-7)6-12-9(10)11/h2-5H,6H2,1H3,(H4,10,11,12)

InChIKey

VFVQFIWHMSRFPF-UHFFFAOYSA-N

Compound name

2-[(3-methylphenyl)methyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 163.11095 Da
Monoisotopic Mass: 0.9
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]+	164.11823	136.0
[M+Na]+	186.10017	146.1
[M+NH4]+	181.14477	144.3
[M+K]+	202.07411	140.3
[M-H]-	162.10367	139.9
[M+Na-2H]-	184.08562	142.7
[M]+	163.11040	138.2
[M]-	163.11150	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe