CID 117204

2-methyl-2-propyl-1,3-propanediol carbamate 2-furylcarbamate

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]+ 285.144476 166.5
[M+Na]+ 307.126418 170.4
[M-H]- 283.129924 169.7
[M+NH4]+ 302.171023 181.5
[M+K]+ 323.100358 171.2
[M+H-H2O]+ 267.134460 159.6
[M+HCOO]- 329.135401 188.8
[M+CH3COO]- 343.151051 201.5
[M+Na-2H]- 305.111866 169.7
[M]+ 284.13665142 170.3
[M]- 284.13774858 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.