CID 53404334

1255942-75-6

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

COC1=C(C=CC(=C1)O)CN

InChI

InChI=1S/C8H11NO2/c1-11-8-4-7(10)3-2-6(8)5-9/h2-4,10H,5,9H2,1H3

InChIKey

DNNJMMIMFXFRQA-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-3-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 153.07898 Da
Monoisotopic Mass: 0.4
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	130.1
[M+Na]+	176.06820	138.5
[M-H]-	152.07170	132.5
[M+NH4]+	171.11280	150.5
[M+K]+	192.04214	136.5
[M+H-H2O]+	136.07624	124.7
[M+HCOO]-	198.07718	154.3
[M+CH3COO]-	212.09283	176.2
[M+Na-2H]-	174.05365	136.1
[M]+	153.07843	129.6
[M]-	153.07953	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe