CID 3064126

101976-25-4

Structural Information

Molecular Formula
C9H14NS
SMILES
CC(C)SC1=CC=[N+](C=C1)C
InChI
InChI=1S/C9H14NS/c1-8(2)11-9-4-6-10(3)7-5-9/h4-8H,1-3H3/q+1
InChIKey
IHDVSMCJYIDOAH-UHFFFAOYSA-N
Compound name
1-methyl-4-propan-2-ylsulfanylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

168.0847 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09198 132.6
[M+Na]+ 191.07392 140.9
[M-H]- 167.07742 135.7
[M+NH4]+ 186.11852 152.5
[M+K]+ 207.04786 133.2
[M+H-H2O]+ 151.08196 129.3
[M+HCOO]- 213.08290 149.4
[M+CH3COO]- 227.09855 173.4
[M+Na-2H]- 189.05937 137.9
[M]+ 168.08415 133.5
[M]- 168.08525 133.5
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

patents stripe