CID 295941

Diethyl propane-1,3-diylbiscarbamate

Structural Information

Molecular Formula
C9H18N2O4
SMILES
CCOC(=O)NCCCNC(=O)OCC
InChI
InChI=1S/C9H18N2O4/c1-3-14-8(12)10-6-5-7-11-9(13)15-4-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChIKey
BWWHOVJFNMPUKF-UHFFFAOYSA-N
Compound name
ethyl N-[3-(ethoxycarbonylamino)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

218.12666 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.133936 150.4
[M+Na]+ 241.115878 154.8
[M-H]- 217.119384 150.2
[M+NH4]+ 236.160483 168.3
[M+K]+ 257.089818 155.5
[M+H-H2O]+ 201.123920 143.9
[M+HCOO]- 263.124861 174.7
[M+CH3COO]- 277.140511 191.4
[M+Na-2H]- 239.101326 153.9
[M]+ 218.12611142 153.9
[M]- 218.12720858 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe