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: 7
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]+	194.063416	137.1
[M+Na]+	216.045358	146.6
[M-H]-	192.048864	139.9
[M+NH4]+	211.089963	157.4
[M+K]+	232.019298	143.5
[M+H-H2O]+	176.053400	131.9
[M+HCOO]-	238.054341	150.1
[M+CH3COO]-	252.069991	150.0
[M+Na-2H]-	214.030806	143.4
[M]+	193.05559142	136.8
[M]-	193.05668858	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe