CID 15486

Unii-08rv8937yj

Structural Information

Molecular Formula

C₃H₉N₅

SMILES

CN=C(N)N=C(N)N

InChI

InChI=1S/C3H9N5/c1-7-3(6)8-2(4)5/h1H3,(H6,4,5,6,7,8)

InChIKey

JLPWQEHTPOFCPG-UHFFFAOYSA-N

Compound name

1-(diaminomethylidene)-2-methylguanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2466
Patents: 115.08579 Da
Monoisotopic Mass: -1.8
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]+	116.09307	122.7
[M+Na]+	138.07501	128.0
[M-H]-	114.07851	124.8
[M+NH4]+	133.11961	144.1
[M+K]+	154.04895	129.2
[M+H-H2O]+	98.083050	116.0
[M+HCOO]-	160.08399	151.8
[M+CH3COO]-	174.09964	184.3
[M+Na-2H]-	136.06046	127.5
[M]+	115.08524	116.5
[M]-	115.08634	116.5

Literature stripe

literature stripe

Patent stripe

patents stripe