CID 45792077

1-(5-methyl-1,2-oxazol-3-yl)-3-(prop-2-yn-1-yl)urea

Structural Information

Molecular Formula
C8H9N3O2
SMILES
CC1=CC(=NO1)NC(=O)NCC#C
InChI
InChI=1S/C8H9N3O2/c1-3-4-9-8(12)10-7-5-6(2)13-11-7/h1,5H,4H2,2H3,(H2,9,10,11,12)
InChIKey
SCGNVNOOYGDAKN-UHFFFAOYSA-N
Compound name
1-(5-methyl-1,2-oxazol-3-yl)-3-prop-2-ynylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.06947 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.07675 141.0
[M+Na]+ 202.05869 150.0
[M+NH4]+ 197.10329 143.9
[M+K]+ 218.03263 144.4
[M-H]- 178.06219 134.5
[M+Na-2H]- 200.04414 141.9
[M]+ 179.06892 139.2
[M]- 179.07002 139.2
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.