CID 3023995

3-ethynyl-1,1-divinylurea

Structural Information

Molecular Formula
C7H8N2O
SMILES
C=CN(C=C)C(=O)NC#C
InChI
InChI=1S/C7H8N2O/c1-4-8-7(10)9(5-2)6-3/h1,5-6H,2-3H2,(H,8,10)
InChIKey
MATXBZKMNIJCBX-UHFFFAOYSA-N
Compound name
1,1-bis(ethenyl)-3-ethynylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06366 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 131.5
[M+Na]+ 159.052878 139.7
[M-H]- 135.056384 132.3
[M+NH4]+ 154.097483 150.7
[M+K]+ 175.026818 138.6
[M+H-H2O]+ 119.060920 120.0
[M+HCOO]- 181.061861 151.3
[M+CH3COO]- 195.077511 188.6
[M+Na-2H]- 157.038326 135.4
[M]+ 136.06311142 125.3
[M]- 136.06420858 125.3
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.