CID 76065

Benzoselenazole, 2,5-dimethyl-

Structural Information

Molecular Formula
C9H9NSe
SMILES
CC1=C2C(=CC=C1)[Se]C(=N2)C
InChI
InChI=1S/C9H9NSe/c1-6-4-3-5-8-9(6)10-7(2)11-8/h3-5H,1-2H3
InChIKey
QOCDXWOQEUNOQG-UHFFFAOYSA-N
Compound name
2,4-dimethyl-1,3-benzoselenazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

210.99002 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.99730 139.3
[M+Na]+ 233.97924 150.2
[M-H]- 209.98274 143.0
[M+NH4]+ 229.02384 162.4
[M+K]+ 249.95318 146.8
[M+H-H2O]+ 193.98728 132.9
[M+HCOO]- 255.98822 163.7
[M+CH3COO]- 270.00387 153.9
[M+Na-2H]- 231.96469 146.0
[M]+ 210.98947 141.9
[M]- 210.99057 141.9
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

patents stripe