CID 3033557

73622-96-5

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]+ 223.071336 159.4
[M+Na]+ 245.053278 167.0
[M-H]- 221.056784 159.6
[M+NH4]+ 240.097883 170.6
[M+K]+ 261.027218 165.4
[M+H-H2O]+ 205.061320 144.9
[M+HCOO]- 267.062261 169.5
[M+CH3COO]- 281.077911 213.5
[M+Na-2H]- 243.038726 159.3
[M]+ 222.06351142 151.9
[M]- 222.06460858 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.