CID 3033546

Bis(2-ethylhexyl)vinylenedicarbamate

Structural Information

Molecular Formula
C20H38N2O4
SMILES
CCCCC(CC)COC(=O)N/C=C/NC(=O)OCC(CC)CCCC
InChI
InChI=1S/C20H38N2O4/c1-5-9-11-17(7-3)15-25-19(23)21-13-14-22-20(24)26-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3,(H,21,23)(H,22,24)/b14-13+
InChIKey
FPILQDKINJMCDZ-BUHFOSPRSA-N
Compound name
2-ethylhexyl N-[(E)-2-(2-ethylhexoxycarbonylamino)ethenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.28317 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.29045 197.3
[M+Na]+ 393.27239 200.3
[M+NH4]+ 388.31699 216.4
[M+K]+ 409.24633 196.0
[M-H]- 369.27589 194.0
[M+Na-2H]- 391.25784 194.5
[M]+ 370.28262 195.9
[M]- 370.28372 195.9
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.