CID 3032785

22796-64-1

Structural Information

Molecular Formula

C₁₀H₁₁NOS

SMILES

CC1(C2=CC=CC=C2NC(=S)O1)C

InChI

InChI=1S/C10H11NOS/c1-10(2)7-5-3-4-6-8(7)11-9(13)12-10/h3-6H,1-2H3,(H,11,13)

InChIKey

DCXHYBSZULGYNI-UHFFFAOYSA-N

Compound name

4,4-dimethyl-1H-3,1-benzoxazine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 193.05614 Da
Monoisotopic Mass: 2.3
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]+	194.06342	139.7
[M+Na]+	216.04536	153.2
[M+NH4]+	211.08996	150.7
[M+K]+	232.01930	142.7
[M-H]-	192.04886	143.4
[M+Na-2H]-	214.03081	146.3
[M]+	193.05559	143.4
[M]-	193.05669	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe