CID 43164174

1955539-88-4

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂S

SMILES

C1CS(=O)(=O)CCN1C2=CC=C(C=C2)CN

InChI

InChI=1S/C11H16N2O2S/c12-9-10-1-3-11(4-2-10)13-5-7-16(14,15)8-6-13/h1-4H,5-9,12H2

InChIKey

LAHOLYHJERNVHG-UHFFFAOYSA-N

Compound name

[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 240.09325 Da
Monoisotopic Mass: 0.1
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]+	241.100526	150.5
[M+Na]+	263.082468	157.9
[M-H]-	239.085974	155.2
[M+NH4]+	258.127073	168.6
[M+K]+	279.056408	153.9
[M+H-H2O]+	223.090510	143.6
[M+HCOO]-	285.091451	166.3
[M+CH3COO]-	299.107101	189.1
[M+Na-2H]-	261.067916	153.7
[M]+	240.09270142	148.0
[M]-	240.09379858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe