CID 82596554

2503208-76-0

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C1C2=C(CN1)N=C(C=C2)C(=O)O
InChI
InChI=1S/C8H8N2O2/c11-8(12)6-2-1-5-3-9-4-7(5)10-6/h1-2,9H,3-4H2,(H,11,12)
InChIKey
CVCOGWQITAHGJL-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.05858 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 132.6
[M+Na]+ 187.04780 140.8
[M-H]- 163.05130 131.9
[M+NH4]+ 182.09240 151.9
[M+K]+ 203.02174 137.7
[M+H-H2O]+ 147.05584 126.3
[M+HCOO]- 209.05678 150.7
[M+CH3COO]- 223.07243 171.5
[M+Na-2H]- 185.03325 138.1
[M]+ 164.05803 129.5
[M]- 164.05913 129.5
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.