CID 197139

4-(2-aminopropyl)-2-methoxyphenol

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CC(CC1=CC(=C(C=C1)O)OC)N

InChI

InChI=1S/C10H15NO2/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6-7,12H,5,11H2,1-2H3

InChIKey

GPBOYXOSSQEJBH-UHFFFAOYSA-N

Compound name

4-(2-aminopropyl)-2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 16
References: 50
Patents: 181.11028 Da
Monoisotopic Mass: 0.6
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]+	182.117556	139.9
[M+Na]+	204.099498	147.1
[M-H]-	180.103004	142.1
[M+NH4]+	199.144103	159.1
[M+K]+	220.073438	145.2
[M+H-H2O]+	164.107540	134.2
[M+HCOO]-	226.108481	162.4
[M+CH3COO]-	240.124131	183.2
[M+Na-2H]-	202.084946	143.5
[M]+	181.10973142	139.5
[M]-	181.11082858	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe