CID 113262

8,9-dihydro-2-methylnaphtho[1,2-d]thiazole

Structural Information

Molecular Formula

C₁₂H₁₁NS

SMILES

CC1=NC2=C(S1)C=CC3=C2CCC=C3

InChI

InChI=1S/C12H11NS/c1-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14-8/h2,4,6-7H,3,5H2,1H3

InChIKey

QEUUFJLLFQIUQH-UHFFFAOYSA-N

Compound name

2-methyl-8,9-dihydrobenzo[e][1,3]benzothiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.06122 Da
Monoisotopic Mass: 3.9
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]+	202.068496	139.4
[M+Na]+	224.050438	151.1
[M-H]-	200.053944	144.5
[M+NH4]+	219.095043	162.6
[M+K]+	240.024378	146.5
[M+H-H2O]+	184.058480	133.9
[M+HCOO]-	246.059421	157.5
[M+CH3COO]-	260.075071	153.8
[M+Na-2H]-	222.035886	145.2
[M]+	201.06067142	142.8
[M]-	201.06176858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.