CID 17782

2-methylbenzoselenazole

Structural Information

Molecular Formula
C8H7NSe
SMILES
CC1=NC2=CC=CC=C2[Se]1
InChI
InChI=1S/C8H7NSe/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
InChIKey
VYFYELQQECQPHU-UHFFFAOYSA-N
Compound name
2-methyl-1,3-benzoselenazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

203
Patents

196.97437 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.981646 134.8
[M+Na]+ 219.963588 145.3
[M-H]- 195.967094 138.4
[M+NH4]+ 215.008193 158.2
[M+K]+ 235.937528 142.2
[M+H-H2O]+ 179.971630 128.4
[M+HCOO]- 241.972571 159.7
[M+CH3COO]- 255.988221 149.6
[M+Na-2H]- 217.949036 142.8
[M]+ 196.97382142 136.7
[M]- 196.97491858 136.7
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