CID 17039847

948292-64-6

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

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

InChI

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

InChIKey

FZSRMFQWMZKGCM-UHFFFAOYSA-N

Compound name

5,7-dimethylquinolin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	173.107326	136.0
[M+Na]+	195.089268	146.2
[M-H]-	171.092774	139.6
[M+NH4]+	190.133873	156.4
[M+K]+	211.063208	142.4
[M+H-H2O]+	155.097310	129.6
[M+HCOO]-	217.098251	159.0
[M+CH3COO]-	231.113901	185.0
[M+Na-2H]-	193.074716	143.7
[M]+	172.09950142	135.4
[M]-	172.10059858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.