CID 136108511

1956309-51-5

Structural Information

Molecular Formula
C7H9N3O
SMILES
CC1=NC2=C(CNC2)C(=O)N1
InChI
InChI=1S/C7H9N3O/c1-4-9-6-3-8-2-5(6)7(11)10-4/h8H,2-3H2,1H3,(H,9,10,11)
InChIKey
RFQURUYEKTZMMR-UHFFFAOYSA-N
Compound name
2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

151.07455 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.081826 130.4
[M+Na]+ 174.063768 140.5
[M-H]- 150.067274 128.8
[M+NH4]+ 169.108373 149.4
[M+K]+ 190.037708 136.4
[M+H-H2O]+ 134.071810 123.7
[M+HCOO]- 196.072751 148.3
[M+CH3COO]- 210.088401 143.0
[M+Na-2H]- 172.049216 136.6
[M]+ 151.07400142 127.1
[M]- 151.07509858 127.1
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