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

3
Patents

151.07455 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 130.4
[M+Na]+ 174.06377 140.5
[M-H]- 150.06727 128.8
[M+NH4]+ 169.10837 149.4
[M+K]+ 190.03771 136.4
[M+H-H2O]+ 134.07181 123.7
[M+HCOO]- 196.07275 148.3
[M+CH3COO]- 210.08840 143.0
[M+Na-2H]- 172.04922 136.6
[M]+ 151.07400 127.1
[M]- 151.07510 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