CID 178856137

Phenyl vinyl sulfide-1-13c

Structural Information

Molecular Formula
C8H14S
SMILES
C=[13CH]SC1CCCCC1
InChI
InChI=1S/C8H14S/c1-2-9-8-6-4-3-5-7-8/h2,8H,1,3-7H2/i2+1
InChIKey
WZCMJGCQGDDUID-VQEHIDDOSA-N
Compound name
(113C)ethenylsulfanylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.08498 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.092256 129.8
[M+Na]+ 166.074198 135.0
[M-H]- 142.077704 132.7
[M+NH4]+ 161.118803 151.7
[M+K]+ 182.048138 132.8
[M+H-H2O]+ 126.082240 124.6
[M+HCOO]- 188.083181 145.2
[M+CH3COO]- 202.098831 172.6
[M+Na-2H]- 164.059646 132.1
[M]+ 143.08443142 126.6
[M]- 143.08552858 126.6
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.