CID 368652

Nsc639769

Structural Information

Molecular Formula

C₁₀H₉NO₃Se

SMILES

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

InChI

InChI=1S/C10H9NO3Se/c1-6(10(13)14)11-9(12)7-4-2-3-5-8(7)15-11/h2-6H,1H3,(H,13,14)

InChIKey

OHQNMAMZKVYOQV-UHFFFAOYSA-N

Compound name

2-(3-oxo-1,2-benzoselenazol-2-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 270.97476 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]+	271.98204	152.9
[M+Na]+	293.96398	162.5
[M-H]-	269.96748	155.3
[M+NH4]+	289.00858	172.3
[M+K]+	309.93792	159.4
[M+H-H2O]+	253.97202	146.4
[M+HCOO]-	315.97296	174.4
[M+CH3COO]-	329.98861	185.4
[M+Na-2H]-	291.94943	156.2
[M]+	270.97421	155.6
[M]-	270.97531	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe