CID 117223

Brn 3054460

Structural Information

Molecular Formula
C13H26N2O4
SMILES
CCC(COC(=O)N)(COC(=O)NC(C)C)C(C)C
InChI
InChI=1S/C13H26N2O4/c1-6-13(9(2)3,7-18-11(14)16)8-19-12(17)15-10(4)5/h9-10H,6-8H2,1-5H3,(H2,14,16)(H,15,17)
InChIKey
GMCIKUIXWWYNKS-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-ethyl-3-methylbutyl] N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.18927 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.19655 167.0
[M+Na]+ 297.17849 170.8
[M+NH4]+ 292.22309 170.4
[M+K]+ 313.15243 169.8
[M-H]- 273.18199 163.4
[M+Na-2H]- 295.16394 165.6
[M]+ 274.18872 165.8
[M]- 274.18982 165.8
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.