CID 213066

2-methyl-2-propyl-1,3-propanediol carbamate carbanilate (ester)

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CCCC(C)(COC(=O)N)COC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C15H22N2O4/c1-3-9-15(2,10-20-13(16)18)11-21-14(19)17-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H2,16,18)(H,17,19)
InChIKey
IKSPSBQCYQRTCM-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylpentyl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.15796 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16524 169.9
[M+Na]+ 317.14718 176.9
[M+NH4]+ 312.19178 174.6
[M+K]+ 333.12112 173.4
[M-H]- 293.15068 169.7
[M+Na-2H]- 315.13263 173.1
[M]+ 294.15741 170.3
[M]- 294.15851 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.