CID 21866

Ethyl (3-carbamoyloxypropyl)carbamate

Structural Information

Molecular Formula
C7H14N2O4
SMILES
CCOC(=O)NCCCOC(=O)N
InChI
InChI=1S/C7H14N2O4/c1-2-12-7(11)9-4-3-5-13-6(8)10/h2-5H2,1H3,(H2,8,10)(H,9,11)
InChIKey
CWQLEXDJESBAJM-UHFFFAOYSA-N
Compound name
ethyl N-(3-carbamoyloxypropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

190.09535 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10263 141.3
[M+Na]+ 213.08457 146.5
[M-H]- 189.08807 140.9
[M+NH4]+ 208.12917 159.9
[M+K]+ 229.05851 147.3
[M+H-H2O]+ 173.09261 135.2
[M+HCOO]- 235.09355 165.6
[M+CH3COO]- 249.10920 185.4
[M+Na-2H]- 211.07002 144.7
[M]+ 190.09480 143.1
[M]- 190.09590 143.1
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

patents stripe