CID 21117574

Ns00055406

Structural Information

Molecular Formula
C8H14O4S
SMILES
CCSC(=O)OC(=O)OC(C)(C)C
InChI
InChI=1S/C8H14O4S/c1-5-13-7(10)11-6(9)12-8(2,3)4/h5H2,1-4H3
InChIKey
SCDYJZRCPTZSIP-UHFFFAOYSA-N
Compound name
(2-methylpropan-2-yl)oxycarbonyl ethylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06128 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.068556 145.3
[M+Na]+ 229.050498 152.2
[M-H]- 205.054004 145.9
[M+NH4]+ 224.095103 165.1
[M+K]+ 245.024438 152.4
[M+H-H2O]+ 189.058540 140.6
[M+HCOO]- 251.059481 160.9
[M+CH3COO]- 265.075131 181.8
[M+Na-2H]- 227.035946 146.6
[M]+ 206.06073142 151.7
[M]- 206.06182858 151.7
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.