CID 51072226

1243250-20-5

Structural Information

Molecular Formula
C8H11N3O
SMILES
CC1=NC2=C(CNC2)C(=O)N1C
InChI
InChI=1S/C8H11N3O/c1-5-10-7-4-9-3-6(7)8(12)11(5)2/h9H,3-4H2,1-2H3
InChIKey
CXJSIFQTPYTLDQ-UHFFFAOYSA-N
Compound name
2,3-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.09021 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.09749 134.4
[M+Na]+ 188.07943 145.3
[M-H]- 164.08293 134.3
[M+NH4]+ 183.12403 153.8
[M+K]+ 204.05337 141.8
[M+H-H2O]+ 148.08747 127.5
[M+HCOO]- 210.08841 153.4
[M+CH3COO]- 224.10406 176.4
[M+Na-2H]- 186.06488 139.8
[M]+ 165.08966 133.7
[M]- 165.09076 133.7
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

No patent data available for this compound.