CID 76274

2946-17-0

Structural Information

Molecular Formula
C9H9NOSe
SMILES
CC1=NC2=C([Se]1)C=CC(=C2)OC
InChI
InChI=1S/C9H9NOSe/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3
InChIKey
LVIYTMFDCXRSDL-UHFFFAOYSA-N
Compound name
5-methoxy-2-methyl-1,3-benzoselenazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

226.98494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.99222 142.8
[M+Na]+ 249.97416 153.6
[M-H]- 225.97766 146.5
[M+NH4]+ 245.01876 165.2
[M+K]+ 265.94810 150.7
[M+H-H2O]+ 209.98220 136.2
[M+HCOO]- 271.98314 167.4
[M+CH3COO]- 285.99879 180.7
[M+Na-2H]- 247.95961 149.4
[M]+ 226.98439 146.8
[M]- 226.98549 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe