CID 83531846

2361644-94-0

Structural Information

Molecular Formula
C10H7N3O2
SMILES
C1=CN=CC=C1C2=NC=CN=C2C(=O)O
InChI
InChI=1S/C10H7N3O2/c14-10(15)9-8(12-5-6-13-9)7-1-3-11-4-2-7/h1-6H,(H,14,15)
InChIKey
ZEXVVQMZNWJFFD-UHFFFAOYSA-N
Compound name
3-pyridin-4-ylpyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

201.05383 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06111 141.4
[M+Na]+ 224.04305 150.2
[M-H]- 200.04655 143.1
[M+NH4]+ 219.08765 155.3
[M+K]+ 240.01699 146.6
[M+H-H2O]+ 184.05109 132.4
[M+HCOO]- 246.05203 161.2
[M+CH3COO]- 260.06768 181.0
[M+Na-2H]- 222.02850 149.5
[M]+ 201.05328 140.6
[M]- 201.05438 140.6
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

patents stripe