CID 10422416

Guanisoquin

Structural Information

Molecular Formula

C₁₀H₁₂BrN₃

SMILES

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

InChI

InChI=1S/C10H12BrN3/c11-9-2-1-7-3-4-14(10(12)13)6-8(7)5-9/h1-2,5H,3-4,6H2,(H3,12,13)

InChIKey

ICLLENNEPRZLAP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 259
Patents: 253.02145 Da
Monoisotopic Mass: 1.4
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]+	254.028726	148.2
[M+Na]+	276.010668	157.5
[M-H]-	252.014174	153.0
[M+NH4]+	271.055273	167.7
[M+K]+	291.984608	145.3
[M+H-H2O]+	236.018710	146.8
[M+HCOO]-	298.019651	166.2
[M+CH3COO]-	312.035301	195.5
[M+Na-2H]-	273.996116	154.9
[M]+	253.02090142	160.7
[M]-	253.02199858	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe