CID 135431340

5661-01-8

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1CC2=C(C1)N=CNC2=O
InChI
InChI=1S/C7H8N2O/c10-7-5-2-1-3-6(5)8-4-9-7/h4H,1-3H2,(H,8,9,10)
InChIKey
RCTLNIIGJAMFQP-UHFFFAOYSA-N
Compound name
3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

136.06366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 124.4
[M+Na]+ 159.052878 133.9
[M-H]- 135.056384 125.2
[M+NH4]+ 154.097483 145.8
[M+K]+ 175.026818 130.9
[M+H-H2O]+ 119.060920 118.1
[M+HCOO]- 181.061861 145.2
[M+CH3COO]- 195.077511 138.2
[M+Na-2H]- 157.038326 132.1
[M]+ 136.06311142 122.1
[M]- 136.06420858 122.1
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