CID 45789811

5-methoxypyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C6H6N2O3
SMILES
COC1=NC=C(N=C1)C(=O)O
InChI
InChI=1S/C6H6N2O3/c1-11-5-3-7-4(2-8-5)6(9)10/h2-3H,1H3,(H,9,10)
InChIKey
YVGVOPNUEFTVQO-UHFFFAOYSA-N
Compound name
5-methoxypyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

740
Patents

154.03784 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04512 127.6
[M+Na]+ 177.02706 136.7
[M-H]- 153.03056 127.7
[M+NH4]+ 172.07166 145.3
[M+K]+ 193.00100 135.8
[M+H-H2O]+ 137.03510 120.8
[M+HCOO]- 199.03604 148.9
[M+CH3COO]- 213.05169 172.2
[M+Na-2H]- 175.01251 135.1
[M]+ 154.03729 128.9
[M]- 154.03839 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe