CID 3300297

6-methoxypyrimidine-4-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

48
Patents

154.03784 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04512 128.8
[M+Na]+ 177.02706 141.0
[M+NH4]+ 172.07166 135.3
[M+K]+ 193.00100 136.9
[M-H]- 153.03056 128.1
[M+Na-2H]- 175.01251 134.7
[M]+ 154.03729 130.0
[M]- 154.03839 130.0
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