CID 71748938

7-hydroxy debrisoquin

Structural Information

Molecular Formula

C₁₀H₁₃N₃O

SMILES

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

InChI

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

InChIKey

VHVRXMHGWNGANF-UHFFFAOYSA-N

Compound name

7-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]+	192.113146	140.5
[M+Na]+	214.095088	146.7
[M-H]-	190.098594	141.7
[M+NH4]+	209.139693	158.3
[M+K]+	230.069028	143.2
[M+H-H2O]+	174.103130	133.8
[M+HCOO]-	236.104071	159.8
[M+CH3COO]-	250.119721	185.6
[M+Na-2H]-	212.080536	146.2
[M]+	191.10532142	133.8
[M]-	191.10641858	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe