CID 201576

6276-13-7

Structural Information

Molecular Formula
C10H13OS
SMILES
CC1=CC(=CC(=[O+]1)C)SCC=C
InChI
InChI=1S/C10H13OS/c1-4-5-12-10-6-8(2)11-9(3)7-10/h4,6-7H,1,5H2,2-3H3/q+1
InChIKey
ASGCSELYFIJAGQ-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-prop-2-enylsulfanylpyrylium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.06871 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07599 135.0
[M+Na]+ 204.05793 144.4
[M-H]- 180.06143 140.5
[M+NH4]+ 199.10253 154.8
[M+K]+ 220.03187 136.9
[M+H-H2O]+ 164.06597 132.5
[M+HCOO]- 226.06691 153.4
[M+CH3COO]- 240.08256 175.0
[M+Na-2H]- 202.04338 141.3
[M]+ 181.06816 138.1
[M]- 181.06926 138.1
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.