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]+ 180.076746 138.2
[M+Na]+ 202.058688 147.2
[M-H]- 178.062194 139.2
[M+NH4]+ 197.103293 154.3
[M+K]+ 218.032628 145.9
[M+H-H2O]+ 162.066730 124.6
[M+HCOO]- 224.067671 156.9
[M+CH3COO]- 238.083321 190.9
[M+Na-2H]- 200.044136 142.8
[M]+ 179.06892142 133.2
[M]- 179.07001858 133.2
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.