CID 15420665

Ns00123414

Structural Information

Molecular Formula
C7H12OS
SMILES
CCCC(=O)SCC=C
InChI
InChI=1S/C7H12OS/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3
InChIKey
MEMKOMIVTLMKLO-UHFFFAOYSA-N
Compound name
S-prop-2-enyl butanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.06088 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.068156 130.1
[M+Na]+ 167.050098 137.4
[M-H]- 143.053604 130.7
[M+NH4]+ 162.094703 152.3
[M+K]+ 183.024038 135.6
[M+H-H2O]+ 127.058140 125.5
[M+HCOO]- 189.059081 147.7
[M+CH3COO]- 203.074731 174.5
[M+Na-2H]- 165.035546 132.0
[M]+ 144.06033142 133.2
[M]- 144.06142858 133.2
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

No patent data available for this compound.