CID 46238

63991-14-0

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

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

InChI

InChI=1S/C11H17NO3/c1-7(12)11(13)9-5-4-8(14-2)6-10(9)15-3/h4-7,11,13H,12H2,1-3H3

InChIKey

ZWYOPUOIHUHDFO-UHFFFAOYSA-N

Compound name

2-amino-1-(2,4-dimethoxyphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 211.12085 Da
Monoisotopic Mass: 0.5
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]+	212.12813	147.7
[M+Na]+	234.11007	154.2
[M-H]-	210.11357	149.8
[M+NH4]+	229.15467	165.5
[M+K]+	250.08401	153.2
[M+H-H2O]+	194.11811	141.7
[M+HCOO]-	256.11905	169.2
[M+CH3COO]-	270.13470	189.3
[M+Na-2H]-	232.09552	149.6
[M]+	211.12030	148.5
[M]-	211.12140	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe