CID 9855710

473450-34-9

Structural Information

Molecular Formula
C10H12N2O2
SMILES
CCCCC1=CC2=C(O1)NC(=O)N=C2
InChI
InChI=1S/C10H12N2O2/c1-2-3-4-8-5-7-6-11-10(13)12-9(7)14-8/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKey
ZAESGNQGLBAHBZ-UHFFFAOYSA-N
Compound name
6-butyl-1H-furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

192.08987 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 138.5
[M+Na]+ 215.07909 149.7
[M-H]- 191.08259 140.5
[M+NH4]+ 210.12369 156.9
[M+K]+ 231.05303 146.9
[M+H-H2O]+ 175.08713 131.8
[M+HCOO]- 237.08807 160.4
[M+CH3COO]- 251.10372 179.8
[M+Na-2H]- 213.06454 146.5
[M]+ 192.08932 142.5
[M]- 192.09042 142.5
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.