CID 6454568

Bis(oxiranylmethyl) hexamethylenebiscarbamate

Structural Information

Molecular Formula

C₁₄H₂₄N₂O₆

SMILES

C1C(O1)CC(CCCCCOC(=O)N)(CC2CO2)OC(=O)N

InChI

InChI=1S/C14H24N2O6/c15-12(17)19-5-3-1-2-4-14(22-13(16)18,6-10-8-20-10)7-11-9-21-11/h10-11H,1-9H2,(H2,15,17)(H2,16,18)

InChIKey

DWPYMWTYQRNCNS-UHFFFAOYSA-N

Compound name

[6-carbamoyloxy-7-(oxiran-2-yl)-6-(oxiran-2-ylmethyl)heptyl] carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 316.16342 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	317.170696	174.2
[M+Na]+	339.152638	178.2
[M-H]-	315.156144	181.0
[M+NH4]+	334.197243	175.1
[M+K]+	355.126578	177.8
[M+H-H2O]+	299.160680	167.5
[M+HCOO]-	361.161621	190.1
[M+CH3COO]-	375.177271	216.7
[M+Na-2H]-	337.138086	176.1
[M]+	316.16287142	182.7
[M]-	316.16396858	182.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.