CID 368645

Nsc639759

Structural Information

Molecular Formula

C₁₁H₁₃NOSe

SMILES

CC(C)(C)N1C(=O)C2=CC=CC=C2[Se]1

InChI

InChI=1S/C11H13NOSe/c1-11(2,3)12-10(13)8-6-4-5-7-9(8)14-12/h4-7H,1-3H3

InChIKey

ZKCKJYOYGUUURF-UHFFFAOYSA-N

Compound name

2-tert-butyl-1,2-benzoselenazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 255.01624 Da
Monoisotopic Mass: None
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]+	256.02352	152.7
[M+Na]+	278.00546	163.4
[M-H]-	254.00896	156.5
[M+NH4]+	273.05006	174.2
[M+K]+	293.97940	159.9
[M+H-H2O]+	238.01350	146.5
[M+HCOO]-	300.01444	175.2
[M+CH3COO]-	314.03009	185.6
[M+Na-2H]-	275.99091	158.9
[M]+	255.01569	156.2
[M]-	255.01679	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe