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 172.4
[M+Na]+ 245.05328 177.6
[M+NH4]+ 240.09788 170.6
[M+K]+ 261.02722 169.0
[M-H]- 221.05678 158.9
[M+Na-2H]- 243.03873 167.8
[M]+ 222.06351 167.7
[M]- 222.06461 167.7
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.