CID 736514

1,3,5-trimethyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC1=C(C(=NN1C)C)C(=O)O
InChI
InChI=1S/C7H10N2O2/c1-4-6(7(10)11)5(2)9(3)8-4/h1-3H3,(H,10,11)
InChIKey
NOIOGQJFLIPRBI-UHFFFAOYSA-N
Compound name
1,3,5-trimethylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

203
Patents

154.07423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 132.0
[M+Na]+ 177.06345 143.1
[M+NH4]+ 172.10805 138.6
[M+K]+ 193.03739 141.0
[M-H]- 153.06695 130.9
[M+Na-2H]- 175.04890 135.6
[M]+ 154.07368 132.9
[M]- 154.07478 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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