CID 28563

17471-82-8

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

C1COC2=C(O1)C=CC(=C2)CN=C(N)N

InChI

InChI=1S/C10H13N3O2/c11-10(12)13-6-7-1-2-8-9(5-7)15-4-3-14-8/h1-2,5H,3-4,6H2,(H4,11,12,13)

InChIKey

WTDYJDLUNYALPM-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 212
Patents: 207.10077 Da
Monoisotopic Mass: 0.3
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]+	208.10805	145.4
[M+Na]+	230.08999	150.8
[M-H]-	206.09349	151.1
[M+NH4]+	225.13459	161.7
[M+K]+	246.06393	151.1
[M+H-H2O]+	190.09803	138.0
[M+HCOO]-	252.09897	167.6
[M+CH3COO]-	266.11462	193.7
[M+Na-2H]-	228.07544	153.4
[M]+	207.10022	142.4
[M]-	207.10132	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe