CID 76316

2977-70-0

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CC1=CC(=CC(=C1O)OC)N

InChI

InChI=1S/C8H11NO2/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4,10H,9H2,1-2H3

InChIKey

ARGLCVKFUNCUFU-UHFFFAOYSA-N

Compound name

4-amino-2-methoxy-6-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 153.07898 Da
Monoisotopic Mass: 1.2
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]+	154.08626	129.8
[M+Na]+	176.06820	139.1
[M-H]-	152.07170	132.7
[M+NH4]+	171.11280	150.5
[M+K]+	192.04214	137.2
[M+H-H2O]+	136.07624	124.7
[M+HCOO]-	198.07718	154.0
[M+CH3COO]-	212.09283	177.4
[M+Na-2H]-	174.05365	135.1
[M]+	153.07843	129.7
[M]-	153.07953	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe