CID 213097

1,3-propanediol, 2-ethyl-, dicarbamate

Structural Information

Molecular Formula
C7H14N2O4
SMILES
CCC(COC(=O)N)COC(=O)N
InChI
InChI=1S/C7H14N2O4/c1-2-5(3-12-6(8)10)4-13-7(9)11/h5H,2-4H2,1H3,(H2,8,10)(H2,9,11)
InChIKey
QPXRPAMCSHHPHX-UHFFFAOYSA-N
Compound name
2-(carbamoyloxymethyl)butyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09535 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.102626 142.2
[M+Na]+ 213.084568 147.0
[M-H]- 189.088074 141.2
[M+NH4]+ 208.129173 160.3
[M+K]+ 229.058508 148.0
[M+H-H2O]+ 173.092610 136.0
[M+HCOO]- 235.093551 164.7
[M+CH3COO]- 249.109201 186.4
[M+Na-2H]- 211.070016 143.1
[M]+ 190.09480142 142.3
[M]- 190.09589858 142.3
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.