CID 83818969

2567498-84-2

Structural Information

Molecular Formula
C8H10N2O4
SMILES
COC1=NN=C(C(=C1)CC(=O)O)OC
InChI
InChI=1S/C8H10N2O4/c1-13-6-3-5(4-7(11)12)8(14-2)10-9-6/h3H,4H2,1-2H3,(H,11,12)
InChIKey
ZPHVZRKYPQVLAU-UHFFFAOYSA-N
Compound name
2-(3,6-dimethoxypyridazin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 139.1
[M+Na]+ 221.05328 148.2
[M-H]- 197.05678 139.3
[M+NH4]+ 216.09788 155.3
[M+K]+ 237.02722 147.4
[M+H-H2O]+ 181.06132 132.0
[M+HCOO]- 243.06226 160.0
[M+CH3COO]- 257.07791 181.6
[M+Na-2H]- 219.03873 144.9
[M]+ 198.06351 143.0
[M]- 198.06461 143.0
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.