CID 135416897

15199-08-3

Structural Information

Molecular Formula
C6H7N3O
SMILES
C1C2=C(CN1)N=CNC2=O
InChI
InChI=1S/C6H7N3O/c10-6-4-1-7-2-5(4)8-3-9-6/h3,7H,1-2H2,(H,8,9,10)
InChIKey
LGCQRMCNOJGREM-UHFFFAOYSA-N
Compound name
3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

137.05891 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 125.9
[M+Na]+ 160.04813 137.6
[M+NH4]+ 155.09273 133.4
[M+K]+ 176.02207 134.2
[M-H]- 136.05163 125.0
[M+Na-2H]- 158.03358 130.6
[M]+ 137.05836 126.9
[M]- 137.05946 126.9
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