CID 204759

Synephrine acetonide

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CC1(N(CC(O1)C2=CC=C(C=C2)O)C)C

InChI

InChI=1S/C12H17NO2/c1-12(2)13(3)8-11(15-12)9-4-6-10(14)7-5-9/h4-7,11,14H,8H2,1-3H3

InChIKey

JJIWDWMLQCSXFB-UHFFFAOYSA-N

Compound name

4-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 207.12593 Da
Monoisotopic Mass: 1.8
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]+	208.13321	144.6
[M+Na]+	230.11515	153.5
[M-H]-	206.11865	150.0
[M+NH4]+	225.15975	164.6
[M+K]+	246.08909	151.9
[M+H-H2O]+	190.12319	138.9
[M+HCOO]-	252.12413	164.4
[M+CH3COO]-	266.13978	183.6
[M+Na-2H]-	228.10060	148.9
[M]+	207.12538	144.7
[M]-	207.12648	144.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.