CID 511846

2-(2,3-dihydroxypropyl)-1,2-benzoselenazol-3-one

Structural Information

Molecular Formula
C10H11NO3Se
SMILES
C1=CC=C2C(=C1)C(=O)N([Se]2)CC(CO)O
InChI
InChI=1S/C10H11NO3Se/c12-6-7(13)5-11-10(14)8-3-1-2-4-9(8)15-11/h1-4,7,12-13H,5-6H2
InChIKey
WEBLQRIRFCGCLC-UHFFFAOYSA-N
Compound name
2-(2,3-dihydroxypropyl)-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.99042 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.99770 154.4
[M+Na]+ 295.97964 163.5
[M-H]- 271.98314 155.2
[M+NH4]+ 291.02424 173.2
[M+K]+ 311.95358 159.6
[M+H-H2O]+ 255.98768 147.9
[M+HCOO]- 317.98862 175.2
[M+CH3COO]- 332.00427 182.8
[M+Na-2H]- 293.96509 158.4
[M]+ 272.98987 156.5
[M]- 272.99097 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.