CID 83855147

709600-77-1

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CC1(C2=C(CN1C)C(=O)NC(=O)N2)C
InChI
InChI=1S/C9H13N3O2/c1-9(2)6-5(4-12(9)3)7(13)11-8(14)10-6/h4H2,1-3H3,(H2,10,11,13,14)
InChIKey
BQAACFDVIUKGAH-UHFFFAOYSA-N
Compound name
6,7,7-trimethyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.108046 140.6
[M+Na]+ 218.089988 152.8
[M-H]- 194.093494 139.8
[M+NH4]+ 213.134593 160.4
[M+K]+ 234.063928 148.3
[M+H-H2O]+ 178.098030 134.8
[M+HCOO]- 240.098971 158.2
[M+CH3COO]- 254.114621 179.1
[M+Na-2H]- 216.075436 145.7
[M]+ 195.10022142 139.9
[M]- 195.10131858 139.9
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

No patent data available for this compound.