CID 34154

Tymazoline

Structural Information

Molecular Formula

C₁₄H₂₀N₂O

SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NCCN2

InChI

InChI=1S/C14H20N2O/c1-10(2)12-5-4-11(3)8-13(12)17-9-14-15-6-7-16-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,16)

InChIKey

QRORCRWSRPKEHR-UHFFFAOYSA-N

Compound name

2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 766
Patents: 232.15756 Da
Monoisotopic Mass: 2.4
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]+	233.16484	155.5
[M+Na]+	255.14678	162.1
[M-H]-	231.15028	158.0
[M+NH4]+	250.19138	171.9
[M+K]+	271.12072	158.5
[M+H-H2O]+	215.15482	147.3
[M+HCOO]-	277.15576	174.3
[M+CH3COO]-	291.17141	190.1
[M+Na-2H]-	253.13223	156.9
[M]+	232.15701	154.7
[M]-	232.15811	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe