CID 179091

5-hydroxymethoxyphenamine

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

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

InChI

InChI=1S/C11H17NO2/c1-8(12-2)6-9-7-10(13)4-5-11(9)14-3/h4-5,7-8,12-13H,6H2,1-3H3

InChIKey

MJHSFKIGFVIAFL-UHFFFAOYSA-N

Compound name

4-methoxy-3-[2-(methylamino)propyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 7
Patents: 195.12593 Da
Monoisotopic Mass: 1.9
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]+	196.133206	143.9
[M+Na]+	218.115148	150.7
[M-H]-	194.118654	146.4
[M+NH4]+	213.159753	162.8
[M+K]+	234.089088	148.9
[M+H-H2O]+	178.123190	138.0
[M+HCOO]-	240.124131	166.8
[M+CH3COO]-	254.139781	186.8
[M+Na-2H]-	216.100596	148.1
[M]+	195.12538142	144.9
[M]-	195.12647858	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe