CID 776421

5-isopropyl-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC(C)C1=CC(=NN1)C(=O)O
InChI
InChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKey
CHWXKAHFWLSLOQ-UHFFFAOYSA-N
Compound name
5-propan-2-yl-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

378
Patents

154.07423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 132.8
[M+Na]+ 177.06345 142.3
[M+NH4]+ 172.10805 138.9
[M+K]+ 193.03739 140.9
[M-H]- 153.06695 130.9
[M+Na-2H]- 175.04890 135.9
[M]+ 154.07368 133.1
[M]- 154.07478 133.1
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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