CID 3033557

Dipropargyl vinylenedicarbamate

Structural Information

Molecular Formula
C10H10N2O4
SMILES
C#CCOC(=O)N/C=C/NC(=O)OCC#C
InChI
InChI=1S/C10H10N2O4/c1-3-7-15-9(13)11-5-6-12-10(14)16-8-4-2/h1-2,5-6H,7-8H2,(H,11,13)(H,12,14)/b6-5+
InChIKey
XXZKBIWYSMINMA-AATRIKPKSA-N
Compound name
prop-2-ynyl N-[(E)-2-(prop-2-ynoxycarbonylamino)ethenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.06406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07134 159.4
[M+Na]+ 245.05328 167.0
[M-H]- 221.05678 159.6
[M+NH4]+ 240.09788 170.6
[M+K]+ 261.02722 165.4
[M+H-H2O]+ 205.06132 144.9
[M+HCOO]- 267.06226 169.5
[M+CH3COO]- 281.07791 213.5
[M+Na-2H]- 243.03873 159.3
[M]+ 222.06351 151.9
[M]- 222.06461 151.9
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.