CID 22289852

2-{[(4-methoxyphenyl)methyl]amino}propan-1-ol

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CC(CO)NCC1=CC=C(C=C1)OC

InChI

InChI=1S/C11H17NO2/c1-9(8-13)12-7-10-3-5-11(14-2)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3

InChIKey

JECRNIMUUGOGMJ-UHFFFAOYSA-N

Compound name

2-[(4-methoxyphenyl)methylamino]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 195.12593 Da
Monoisotopic Mass: 1.3
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]+	196.133206	144.2
[M+Na]+	218.115148	150.1
[M-H]-	194.118654	146.4
[M+NH4]+	213.159753	162.8
[M+K]+	234.089088	148.3
[M+H-H2O]+	178.123190	138.0
[M+HCOO]-	240.124131	167.1
[M+CH3COO]-	254.139781	185.6
[M+Na-2H]-	216.100596	149.2
[M]+	195.12538142	144.8
[M]-	195.12647858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe