CID 76928

3393-72-4

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

CC1=CN=C2C(=C1C)C=CC=C2N

InChI

InChI=1S/C11H12N2/c1-7-6-13-11-9(8(7)2)4-3-5-10(11)12/h3-6H,12H2,1-2H3

InChIKey

ZFENFGROVBOJMF-UHFFFAOYSA-N

Compound name

3,4-dimethylquinolin-8-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 172.10005 Da
Monoisotopic Mass: 2.2
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]+	173.10733	136.0
[M+Na]+	195.08927	146.2
[M-H]-	171.09277	139.6
[M+NH4]+	190.13387	156.4
[M+K]+	211.06321	142.4
[M+H-H2O]+	155.09731	129.6
[M+HCOO]-	217.09825	159.0
[M+CH3COO]-	231.11390	185.0
[M+Na-2H]-	193.07472	143.7
[M]+	172.09950	135.4
[M]-	172.10060	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe