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]+ 236.09511 153.9
[M+Na]+ 258.07705 158.8
[M-H]- 234.08055 153.6
[M+NH4]+ 253.12165 171.8
[M+K]+ 274.05099 158.1
[M+H-H2O]+ 218.08509 147.5
[M+HCOO]- 280.08603 171.4
[M+CH3COO]- 294.10168 190.0
[M+Na-2H]- 256.06250 154.1
[M]+ 235.08728 160.2
[M]- 235.08838 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.