CID 7060724

2-methoxy-4-[(methylamino)methyl]phenol hydrochloride

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

CNCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C9H13NO2/c1-10-6-7-3-4-8(11)9(5-7)12-2/h3-5,10-11H,6H2,1-2H3

InChIKey

DWVROQPEVDTYSN-UHFFFAOYSA-N

Compound name

2-methoxy-4-(methylaminomethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 167.09464 Da
Monoisotopic Mass: 0.3
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]+	168.10192	134.1
[M+Na]+	190.08386	142.0
[M-H]-	166.08736	136.9
[M+NH4]+	185.12846	154.2
[M+K]+	206.05780	140.2
[M+H-H2O]+	150.09190	128.5
[M+HCOO]-	212.09284	158.7
[M+CH3COO]-	226.10849	179.9
[M+Na-2H]-	188.06931	140.7
[M]+	167.09409	135.0
[M]-	167.09519	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe