CID 201574

6276-12-6

Structural Information

Molecular Formula
C8H11OS
SMILES
CC1=CC(=CC(=[O+]1)C)SC
InChI
InChI=1S/C8H11OS/c1-6-4-8(10-3)5-7(2)9-6/h4-5H,1-3H3/q+1
InChIKey
PHWMNWKGOZIKCO-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-methylsulfanylpyrylium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.05305 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06033 126.6
[M+Na]+ 178.04227 136.5
[M-H]- 154.04577 132.4
[M+NH4]+ 173.08687 147.5
[M+K]+ 194.01621 130.2
[M+H-H2O]+ 138.05031 124.5
[M+HCOO]- 200.05125 145.5
[M+CH3COO]- 214.06690 170.0
[M+Na-2H]- 176.02772 133.9
[M]+ 155.05250 129.6
[M]- 155.05360 129.6
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.