CID 16394827

1-ethyl-5-methyl-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CCN1C(=CC(=N1)C(=O)O)C
InChI
InChI=1S/C7H10N2O2/c1-3-9-5(2)4-6(8-9)7(10)11/h4H,3H2,1-2H3,(H,10,11)
InChIKey
DMGJEACTEOFQPI-UHFFFAOYSA-N
Compound name
1-ethyl-5-methylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

154.07423 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 130.7
[M+Na]+ 177.06345 140.3
[M-H]- 153.06695 131.0
[M+NH4]+ 172.10805 150.6
[M+K]+ 193.03739 138.9
[M+H-H2O]+ 137.07149 124.5
[M+HCOO]- 199.07243 152.2
[M+CH3COO]- 213.08808 174.4
[M+Na-2H]- 175.04890 134.4
[M]+ 154.07368 132.0
[M]- 154.07478 132.0
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

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