CID 58473

101491-87-6

Structural Information

Molecular Formula
C9H17NO4S
SMILES
CCCOC(=O)SCCNC(=O)OCC
InChI
InChI=1S/C9H17NO4S/c1-3-6-14-9(12)15-7-5-10-8(11)13-4-2/h3-7H2,1-2H3,(H,10,11)
InChIKey
WAQHNGIEVJOWKV-UHFFFAOYSA-N
Compound name
propyl 2-(ethoxycarbonylamino)ethylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08783 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.095106 153.9
[M+Na]+ 258.077048 158.8
[M-H]- 234.080554 153.6
[M+NH4]+ 253.121653 171.8
[M+K]+ 274.050988 158.1
[M+H-H2O]+ 218.085090 147.5
[M+HCOO]- 280.086031 171.4
[M+CH3COO]- 294.101681 190.0
[M+Na-2H]- 256.062496 154.1
[M]+ 235.08728142 160.2
[M]- 235.08837858 160.2
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.