CID 118847

35629-47-1

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CCCCNC(=O)NC1=NC=CO1
InChI
InChI=1S/C8H13N3O2/c1-2-3-4-9-7(12)11-8-10-5-6-13-8/h5-6H,2-4H2,1H3,(H2,9,10,11,12)
InChIKey
RXPBEGLIXKJVHJ-UHFFFAOYSA-N
Compound name
1-butyl-3-(1,3-oxazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 140.1
[M+Na]+ 206.08999 146.1
[M-H]- 182.09349 142.9
[M+NH4]+ 201.13459 158.4
[M+K]+ 222.06393 146.2
[M+H-H2O]+ 166.09803 132.7
[M+HCOO]- 228.09897 165.2
[M+CH3COO]- 242.11462 183.4
[M+Na-2H]- 204.07544 146.8
[M]+ 183.10022 141.2
[M]- 183.10132 141.2
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

patents stripe