CID 14329433

3-(methoxymethyl)-1-methyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CN1C=C(C(=N1)COC)C(=O)O
InChI
InChI=1S/C7H10N2O3/c1-9-3-5(7(10)11)6(8-9)4-12-2/h3H,4H2,1-2H3,(H,10,11)
InChIKey
PPJWEVHXEQVWNP-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

170.06914 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.076416 133.4
[M+Na]+ 193.058358 142.9
[M-H]- 169.061864 133.7
[M+NH4]+ 188.102963 152.6
[M+K]+ 209.032298 142.0
[M+H-H2O]+ 153.066400 127.0
[M+HCOO]- 215.067341 155.1
[M+CH3COO]- 229.082991 176.5
[M+Na-2H]- 191.043806 137.2
[M]+ 170.06859142 136.2
[M]- 170.06968858 136.2
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