CID 20983

P-methoxyphenylbiguanide

Structural Information

Molecular Formula

C₉H₁₃N₅O

SMILES

COC1=CC=C(C=C1)N=C(N)N=C(N)N

InChI

InChI=1S/C9H13N5O/c1-15-7-4-2-6(3-5-7)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)

InChIKey

FKFRZIDBWCMAJU-UHFFFAOYSA-N

Compound name

1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 164
Patents: 207.11201 Da
Monoisotopic Mass: -0.1
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]+	208.11929	144.8
[M+Na]+	230.10123	149.9
[M-H]-	206.10473	150.0
[M+NH4]+	225.14583	162.6
[M+K]+	246.07517	149.3
[M+H-H2O]+	190.10927	136.7
[M+HCOO]-	252.11021	174.1
[M+CH3COO]-	266.12586	201.3
[M+Na-2H]-	228.08668	149.1
[M]+	207.11146	140.5
[M]-	207.11256	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe