CID 51072226

2,3-dimethyl-3,5,6,7-tetrahydro-4h-pyrrolo[3,4-d]pyrimidin-4-one dihydrochloride hydrate

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]+ 166.097486 134.4
[M+Na]+ 188.079428 145.3
[M-H]- 164.082934 134.3
[M+NH4]+ 183.124033 153.8
[M+K]+ 204.053368 141.8
[M+H-H2O]+ 148.087470 127.5
[M+HCOO]- 210.088411 153.4
[M+CH3COO]- 224.104061 176.4
[M+Na-2H]- 186.064876 139.8
[M]+ 165.08966142 133.7
[M]- 165.09075858 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.