CID 117206

Brn 3052422

Structural Information

Molecular Formula
C12H24N2O4
SMILES
CCCNC(=O)OCC(C)(COC(=O)N)C(C)C
InChI
InChI=1S/C12H24N2O4/c1-5-6-14-11(16)18-8-12(4,9(2)3)7-17-10(13)15/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)
InChIKey
DRAZTHQSSHSOGK-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2,3-dimethylbutyl] N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1736 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18088 164.0
[M+Na]+ 283.16282 167.3
[M-H]- 259.16632 163.1
[M+NH4]+ 278.20742 179.9
[M+K]+ 299.13676 167.9
[M+H-H2O]+ 243.17086 157.9
[M+HCOO]- 305.17180 184.1
[M+CH3COO]- 319.18745 201.7
[M+Na-2H]- 281.14827 164.5
[M]+ 260.17305 166.5
[M]- 260.17415 166.5
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.