CID 84904

Diethyl 1,2-dimethylbicarbamate

Structural Information

Molecular Formula
C8H16N2O4
SMILES
CCOC(=O)N(C)N(C)C(=O)OCC
InChI
InChI=1S/C8H16N2O4/c1-5-13-7(11)9(3)10(4)8(12)14-6-2/h5-6H2,1-4H3
InChIKey
LMDVFFHOTJYTLU-UHFFFAOYSA-N
Compound name
ethyl N-[ethoxycarbonyl(methyl)amino]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

204.11101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.118286 145.9
[M+Na]+ 227.100228 151.3
[M-H]- 203.103734 149.1
[M+NH4]+ 222.144833 165.8
[M+K]+ 243.074168 155.0
[M+H-H2O]+ 187.108270 139.6
[M+HCOO]- 249.109211 171.6
[M+CH3COO]- 263.124861 194.6
[M+Na-2H]- 225.085676 148.5
[M]+ 204.11046142 151.6
[M]- 204.11155858 151.6
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