CID 511847

2-[2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]-1,2-benzoselenazol-3-one

Structural Information

Molecular Formula
C11H13NO3Se
SMILES
CC(CO)(CO)N1C(=O)C2=CC=CC=C2[Se]1
InChI
InChI=1S/C11H13NO3Se/c1-11(6-13,7-14)12-10(15)8-4-2-3-5-9(8)16-12/h2-5,13-14H,6-7H2,1H3
InChIKey
VCRRHXMYSAUWNQ-UHFFFAOYSA-N
Compound name
2-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.00607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.01335 159.9
[M+Na]+ 309.99529 169.4
[M-H]- 285.99879 160.9
[M+NH4]+ 305.03989 178.4
[M+K]+ 325.96923 165.2
[M+H-H2O]+ 270.00333 153.9
[M+HCOO]- 332.00427 179.8
[M+CH3COO]- 346.01992 185.3
[M+Na-2H]- 307.98074 165.5
[M]+ 287.00552 162.6
[M]- 287.00662 162.6
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.