CID 117189

2-ethyl-1,3-propanediol carbamate methylcarbamate

Structural Information

Molecular Formula
C8H16N2O4
SMILES
CCC(COC(=O)N)COC(=O)NC
InChI
InChI=1S/C8H16N2O4/c1-3-6(4-13-7(9)11)5-14-8(12)10-2/h6H,3-5H2,1-2H3,(H2,9,11)(H,10,12)
InChIKey
QGOXHXFKOTUXNE-UHFFFAOYSA-N
Compound name
2-(carbamoyloxymethyl)butyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.11101 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.11829 146.7
[M+Na]+ 227.10023 151.2
[M-H]- 203.10373 146.2
[M+NH4]+ 222.14483 164.7
[M+K]+ 243.07417 152.3
[M+H-H2O]+ 187.10827 140.4
[M+HCOO]- 249.10921 169.6
[M+CH3COO]- 263.12486 189.3
[M+Na-2H]- 225.08568 148.2
[M]+ 204.11046 148.1
[M]- 204.11156 148.1
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

No patent data available for this compound.