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]+ 171.07642 133.4
[M+Na]+ 193.05836 142.9
[M-H]- 169.06186 133.7
[M+NH4]+ 188.10296 152.6
[M+K]+ 209.03230 142.0
[M+H-H2O]+ 153.06640 127.0
[M+HCOO]- 215.06734 155.1
[M+CH3COO]- 229.08299 176.5
[M+Na-2H]- 191.04381 137.2
[M]+ 170.06859 136.2
[M]- 170.06969 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