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]+ 247.165236 159.5
[M+Na]+ 269.147178 162.9
[M-H]- 245.150684 158.3
[M+NH4]+ 264.191783 175.8
[M+K]+ 285.121118 162.8
[M+H-H2O]+ 229.155220 152.6
[M+HCOO]- 291.156161 182.4
[M+CH3COO]- 305.171811 197.5
[M+Na-2H]- 267.132626 160.8
[M]+ 246.15741142 162.7
[M]- 246.15850858 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.