CID 57358334

6-hydroxy debrisoquin

Structural Information

Molecular Formula

C₁₀H₁₃N₃O

SMILES

C1CN(CC2=C1C=C(C=C2)O)C(=N)N

InChI

InChI=1S/C10H13N3O/c11-10(12)13-4-3-7-5-9(14)2-1-8(7)6-13/h1-2,5,14H,3-4,6H2,(H3,11,12)

InChIKey

JUUCJGVPMCXDNV-UHFFFAOYSA-N

Compound name

6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 191.10587 Da
Monoisotopic Mass: 0.4
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]+	192.11315	140.7
[M+Na]+	214.09509	151.0
[M+NH4]+	209.13969	148.7
[M+K]+	230.06903	145.8
[M-H]-	190.09859	143.0
[M+Na-2H]-	212.08054	145.4
[M]+	191.10532	142.4
[M]-	191.10642	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe