CID 76129

2870-38-4

Structural Information

Molecular Formula
C11H14NOSe
SMILES
CC[N+]1=C([Se]C2=C1C=C(C=C2)OC)C
InChI
InChI=1S/C11H14NOSe/c1-4-12-8(2)14-11-6-5-9(13-3)7-10(11)12/h5-7H,4H2,1-3H3/q+1
InChIKey
IZDAHPAHBPTNIX-UHFFFAOYSA-N
Compound name
3-ethyl-5-methoxy-2-methyl-1,3-benzoselenazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

256.02405 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.03133 147.9
[M+Na]+ 279.01327 164.4
[M+NH4]+ 274.05787 158.3
[M+K]+ 294.98721 158.6
[M-H]- 255.01677 152.1
[M+Na-2H]- 276.99872 155.2
[M]+ 256.02350 151.9
[M]- 256.02460 151.9
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

No patent data available for this compound.