CID 103415

65573-08-2

Structural Information

Molecular Formula
C9H16O3S2
SMILES
CCOC(=O)SC(=S)OC(C)C(C)C
InChI
InChI=1S/C9H16O3S2/c1-5-11-8(10)14-9(13)12-7(4)6(2)3/h6-7H,5H2,1-4H3
InChIKey
CWPWVEGNUSTIAS-UHFFFAOYSA-N
Compound name
ethyl 3-methylbutan-2-yloxycarbothioylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.0541 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06138 152.0
[M+Na]+ 259.04332 156.9
[M-H]- 235.04682 151.7
[M+NH4]+ 254.08792 170.1
[M+K]+ 275.01726 155.2
[M+H-H2O]+ 219.05136 146.3
[M+HCOO]- 281.05230 160.2
[M+CH3COO]- 295.06795 189.6
[M+Na-2H]- 257.02877 147.8
[M]+ 236.05355 157.1
[M]- 236.05465 157.1
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.