CID 504234

Akos024344226

Structural Information

Molecular Formula

C₈H₁₁N₅O

SMILES

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

InChI

InChI=1S/C8H11N5O/c9-7(10)13-8(11)12-5-2-1-3-6(14)4-5/h1-4,14H,(H6,9,10,11,12,13)

InChIKey

MPTSPQBMSHVJEB-UHFFFAOYSA-N

Compound name

1-(diaminomethylidene)-2-(3-hydroxyphenyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 193.09636 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]+	194.103636	140.3
[M+Na]+	216.085578	145.5
[M-H]-	192.089084	144.3
[M+NH4]+	211.130183	158.0
[M+K]+	232.059518	144.2
[M+H-H2O]+	176.093620	132.7
[M+HCOO]-	238.094561	168.4
[M+CH3COO]-	252.110211	196.0
[M+Na-2H]-	214.071026	144.6
[M]+	193.09581142	133.8
[M]-	193.09690858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe