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
3
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]+ 197.98165 134.8
[M+Na]+ 219.96359 145.3
[M-H]- 195.96709 138.4
[M+NH4]+ 215.00819 158.2
[M+K]+ 235.93753 142.2
[M+H-H2O]+ 179.97163 128.4
[M+HCOO]- 241.97257 159.7
[M+CH3COO]- 255.98822 149.6
[M+Na-2H]- 217.94904 142.8
[M]+ 196.97382 136.7
[M]- 196.97492 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.