CID 55296409

6,8-dimethylisoquinoline

Structural Information

Molecular Formula

C₁₁H₁₁N

SMILES

CC1=CC(=C2C=NC=CC2=C1)C

InChI

InChI=1S/C11H11N/c1-8-5-9(2)11-7-12-4-3-10(11)6-8/h3-7H,1-2H3

InChIKey

KAXQBGPFESZQIL-UHFFFAOYSA-N

Compound name

6,8-dimethylisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 157.08914 Da
Monoisotopic Mass: 2.8
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]+	158.09642	131.4
[M+Na]+	180.07836	147.7
[M+NH4]+	175.12296	142.0
[M+K]+	196.05230	139.2
[M-H]-	156.08186	135.4
[M+Na-2H]-	178.06381	140.6
[M]+	157.08859	135.1
[M]-	157.08969	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe