CID 9506

N-benzyl-n-methylguanidine hydrochloride

Structural Information

Molecular Formula

C₉H₁₃N₃

SMILES

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

InChI

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

InChIKey

HRUWBAUPQXBXBY-UHFFFAOYSA-N

Compound name

1-benzyl-1-methylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 163.11095 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]+	164.11823	135.9
[M+Na]+	186.10017	141.0
[M-H]-	162.10367	140.4
[M+NH4]+	181.14477	155.9
[M+K]+	202.07411	140.0
[M+H-H2O]+	146.10821	129.0
[M+HCOO]-	208.10915	162.6
[M+CH3COO]-	222.12480	188.2
[M+Na-2H]-	184.08562	141.9
[M]+	163.11040	132.4
[M]-	163.11150	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe