CID 3060086

77694-42-9

Structural Information

Molecular Formula
C13H12N2O4
SMILES
CC1(CC(C(=O)O1)N2C(=O)C3=C(C2=O)N=CC=C3)C
InChI
InChI=1S/C13H12N2O4/c1-13(2)6-8(12(18)19-13)15-10(16)7-4-3-5-14-9(7)11(15)17/h3-5,8H,6H2,1-2H3
InChIKey
HHFPUUXKZGIZFR-UHFFFAOYSA-N
Compound name
6-(5,5-dimethyl-2-oxooxolan-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0797 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08698 153.4
[M+Na]+ 283.06892 164.7
[M-H]- 259.07242 160.3
[M+NH4]+ 278.11352 173.2
[M+K]+ 299.04286 162.7
[M+H-H2O]+ 243.07696 147.7
[M+HCOO]- 305.07790 173.0
[M+CH3COO]- 319.09355 194.7
[M+Na-2H]- 281.05437 155.4
[M]+ 260.07915 155.9
[M]- 260.08025 155.9
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.