CID 213006

1,3-propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate

Structural Information

Molecular Formula
C11H16N2O4S
SMILES
CCC(COC(=O)N)(COC(=O)N)C1=CSC=C1
InChI
InChI=1S/C11H16N2O4S/c1-2-11(6-16-9(12)14,7-17-10(13)15)8-3-4-18-5-8/h3-5H,2,6-7H2,1H3,(H2,12,14)(H2,13,15)
InChIKey
AKLDSRHPOBDCIM-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-thiophen-3-ylbutyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.08307 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09035 162.8
[M+Na]+ 295.07229 167.5
[M-H]- 271.07579 165.0
[M+NH4]+ 290.11689 179.7
[M+K]+ 311.04623 165.8
[M+H-H2O]+ 255.08033 156.1
[M+HCOO]- 317.08127 180.4
[M+CH3COO]- 331.09692 197.0
[M+Na-2H]- 293.05774 162.4
[M]+ 272.08252 165.0
[M]- 272.08362 165.0
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.