CID 117580

Brn 3055752

Structural Information

Molecular Formula
C13H26N2O4
SMILES
CCCC(C)(COC(=O)NCC)COC(=O)NCC
InChI
InChI=1S/C13H26N2O4/c1-5-8-13(4,9-18-11(16)14-6-2)10-19-12(17)15-7-3/h5-10H2,1-4H3,(H,14,16)(H,15,17)
InChIKey
JAGDGWYCWWBCLL-UHFFFAOYSA-N
Compound name
[2-(ethylcarbamoyloxymethyl)-2-methylpentyl] N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.18927 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.19655 167.3
[M+Na]+ 297.17849 172.0
[M+NH4]+ 292.22309 171.1
[M+K]+ 313.15243 169.1
[M-H]- 273.18199 164.3
[M+Na-2H]- 295.16394 167.0
[M]+ 274.18872 166.5
[M]- 274.18982 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.