CID 16564

Guanoxan

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

C1C(OC2=CC=CC=C2O1)CN=C(N)N

InChI

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

InChIKey

HIUVKVDQFXDZHU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 16
References: 1650
Patents: 207.10077 Da
Monoisotopic Mass: 0.2
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]+	208.108046	145.4
[M+Na]+	230.089988	150.8
[M-H]-	206.093494	151.1
[M+NH4]+	225.134593	161.7
[M+K]+	246.063928	151.1
[M+H-H2O]+	190.098030	138.0
[M+HCOO]-	252.098971	167.6
[M+CH3COO]-	266.114621	193.7
[M+Na-2H]-	228.075436	153.4
[M]+	207.10022142	142.4
[M]-	207.10131858	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe