CID 117204

25384-86-5

Structural Information

Molecular Formula
C13H20N2O5
SMILES
CCCC(C)(COC(=O)N)COC(=O)NC1=CC=CO1
InChI
InChI=1S/C13H20N2O5/c1-3-6-13(2,8-19-11(14)16)9-20-12(17)15-10-5-4-7-18-10/h4-5,7H,3,6,8-9H2,1-2H3,(H2,14,16)(H,15,17)
InChIKey
MCRZDGWCWKQOMX-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylpentyl] N-(furan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14448 166.5
[M+Na]+ 307.12642 170.4
[M-H]- 283.12992 169.7
[M+NH4]+ 302.17102 181.5
[M+K]+ 323.10036 171.2
[M+H-H2O]+ 267.13446 159.6
[M+HCOO]- 329.13540 188.8
[M+CH3COO]- 343.15105 201.5
[M+Na-2H]- 305.11187 169.7
[M]+ 284.13665 170.3
[M]- 284.13775 170.3
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.