CID 2966

Debrisoquine

Structural Information

Molecular Formula

C₁₀H₁₃N₃

SMILES

C1CN(CC2=CC=CC=C21)C(=N)N

InChI

InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)

InChIKey

JWPGJSVJDAJRLW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1046
References: 3342
Patents: 175.11095 Da
Monoisotopic Mass: 0.8
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]+	176.11823	136.7
[M+Na]+	198.10017	142.5
[M-H]-	174.10367	139.0
[M+NH4]+	193.14477	155.7
[M+K]+	214.07411	139.3
[M+H-H2O]+	158.10821	129.8
[M+HCOO]-	220.10915	157.4
[M+CH3COO]-	234.12480	184.6
[M+Na-2H]-	196.08562	143.7
[M]+	175.11040	130.0
[M]-	175.11150	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe