CID 17859818

1367948-67-1

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C1C(CC2=NC=CN=C21)C(=O)O
InChI
InChI=1S/C8H8N2O2/c11-8(12)5-3-6-7(4-5)10-2-1-9-6/h1-2,5H,3-4H2,(H,11,12)
InChIKey
DOAFBKVQCVWJOW-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-cyclopenta[b]pyrazine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.05858 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 132.0
[M+Na]+ 187.04780 140.6
[M-H]- 163.05130 132.7
[M+NH4]+ 182.09240 152.0
[M+K]+ 203.02174 138.4
[M+H-H2O]+ 147.05584 125.4
[M+HCOO]- 209.05678 151.6
[M+CH3COO]- 223.07243 174.0
[M+Na-2H]- 185.03325 137.9
[M]+ 164.05803 130.7
[M]- 164.05913 130.7
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.