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 138.2
[M+Na]+ 202.05869 147.2
[M-H]- 178.06219 139.2
[M+NH4]+ 197.10329 154.3
[M+K]+ 218.03263 145.9
[M+H-H2O]+ 162.06673 124.6
[M+HCOO]- 224.06767 156.9
[M+CH3COO]- 238.08332 190.9
[M+Na-2H]- 200.04414 142.8
[M]+ 179.06892 133.2
[M]- 179.07002 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.