CID 120156

29213-16-9

Structural Information

Molecular Formula

C₁₀H₁₅N₅

SMILES

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

InChI

InChI=1S/C10H15N5/c1-6-4-3-5-7(2)8(6)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15)

InChIKey

HPDCRAOWFOIELP-UHFFFAOYSA-N

Compound name

1-(diaminomethylidene)-2-(2,6-dimethylphenyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 202
Patents: 205.13275 Da
Monoisotopic Mass: 0.6
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]+	206.140026	147.6
[M+Na]+	228.121968	153.4
[M-H]-	204.125474	153.0
[M+NH4]+	223.166573	165.9
[M+K]+	244.095908	152.0
[M+H-H2O]+	188.130010	139.9
[M+HCOO]-	250.130951	176.3
[M+CH3COO]-	264.146601	203.3
[M+Na-2H]-	226.107416	150.5
[M]+	205.13220142	142.7
[M]-	205.13329858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe