CID 3064122

101976-23-2

Structural Information

Molecular Formula
C8H12NS
SMILES
CCSC1=CC=[N+](C=C1)C
InChI
InChI=1S/C8H12NS/c1-3-10-8-4-6-9(2)7-5-8/h4-7H,3H2,1-2H3/q+1
InChIKey
GVNXCBPUWHZQLI-UHFFFAOYSA-N
Compound name
4-ethylsulfanyl-1-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

154.06905 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07633 128.1
[M+Na]+ 177.05827 137.2
[M-H]- 153.06177 131.3
[M+NH4]+ 172.10287 148.7
[M+K]+ 193.03221 129.3
[M+H-H2O]+ 137.06631 124.9
[M+HCOO]- 199.06725 146.2
[M+CH3COO]- 213.08290 169.7
[M+Na-2H]- 175.04372 135.0
[M]+ 154.06850 129.2
[M]- 154.06960 129.2
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