CID 56303

Hexyl (3-carbamoyloxypropyl)carbamate

Structural Information

Molecular Formula
C11H22N2O4
SMILES
CCCCCCOC(=O)NCCCOC(=O)N
InChI
InChI=1S/C11H22N2O4/c1-2-3-4-5-8-17-11(15)13-7-6-9-16-10(12)14/h2-9H2,1H3,(H2,12,14)(H,13,15)
InChIKey
URPVKVMAPGGPDK-UHFFFAOYSA-N
Compound name
hexyl N-(3-carbamoyloxypropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.15796 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16524 159.5
[M+Na]+ 269.14718 162.9
[M-H]- 245.15068 158.3
[M+NH4]+ 264.19178 175.8
[M+K]+ 285.12112 162.8
[M+H-H2O]+ 229.15522 152.6
[M+HCOO]- 291.15616 182.4
[M+CH3COO]- 305.17181 197.5
[M+Na-2H]- 267.13263 160.8
[M]+ 246.15741 162.7
[M]- 246.15851 162.7
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.