CID 95257

1,2-ethanediol, dicarbamate

Structural Information

Molecular Formula
C4H8N2O4
SMILES
C(COC(=O)N)OC(=O)N
InChI
InChI=1S/C4H8N2O4/c5-3(7)9-1-2-10-4(6)8/h1-2H2,(H2,5,7)(H2,6,8)
InChIKey
FONCADNOZFBHIB-UHFFFAOYSA-N
Compound name
2-carbamoyloxyethyl carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

342
Patents

148.0484 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.055676 127.6
[M+Na]+ 171.037618 134.0
[M-H]- 147.041124 127.2
[M+NH4]+ 166.082223 147.5
[M+K]+ 187.011558 135.1
[M+H-H2O]+ 131.045660 122.0
[M+HCOO]- 193.046601 152.2
[M+CH3COO]- 207.062251 176.4
[M+Na-2H]- 169.023066 131.5
[M]+ 148.04785142 127.3
[M]- 148.04894858 127.3
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