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

98
Patents

136.06366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 124.4
[M+Na]+ 159.05288 133.9
[M-H]- 135.05638 125.2
[M+NH4]+ 154.09748 145.8
[M+K]+ 175.02682 130.9
[M+H-H2O]+ 119.06092 118.1
[M+HCOO]- 181.06186 145.2
[M+CH3COO]- 195.07751 138.2
[M+Na-2H]- 157.03833 132.1
[M]+ 136.06311 122.1
[M]- 136.06421 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