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

66
Patents

154.03784 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.045116 127.6
[M+Na]+ 177.027058 136.7
[M-H]- 153.030564 127.7
[M+NH4]+ 172.071663 145.3
[M+K]+ 193.000998 135.8
[M+H-H2O]+ 137.035100 120.8
[M+HCOO]- 199.036041 148.9
[M+CH3COO]- 213.051691 172.2
[M+Na-2H]- 175.012506 135.1
[M]+ 154.03729142 128.9
[M]- 154.03838858 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