CID 95798

4-amino-2-methoxy-5-methylaniline

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CC1=CC(=C(C=C1N)OC)N

InChI

InChI=1S/C8H12N2O/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4H,9-10H2,1-2H3

InChIKey

KNRVAYVZVIKHHL-UHFFFAOYSA-N

Compound name

2-methoxy-5-methylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1310
Patents: 152.09496 Da
Monoisotopic Mass: 0.9
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]+	153.102236	130.9
[M+Na]+	175.084178	139.9
[M-H]-	151.087684	134.6
[M+NH4]+	170.128783	151.8
[M+K]+	191.058118	138.0
[M+H-H2O]+	135.092220	125.3
[M+HCOO]-	197.093161	156.8
[M+CH3COO]-	211.108811	182.3
[M+Na-2H]-	173.069626	135.9
[M]+	152.09441142	129.5
[M]-	152.09550858	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe