CID 23005990

3-(3,5-dimethyl-1h-pyrazol-4-yl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC1=C(C(=NN1)C)CC(C)C(=O)O
InChI
InChI=1S/C9H14N2O2/c1-5(9(12)13)4-8-6(2)10-11-7(8)3/h5H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKey
ZJCNNCJYWFIMQY-UHFFFAOYSA-N
Compound name
3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 141.5
[M+Na]+ 205.09475 151.0
[M+NH4]+ 200.13935 147.3
[M+K]+ 221.06869 149.3
[M-H]- 181.09825 139.6
[M+Na-2H]- 203.08020 143.9
[M]+ 182.10498 141.9
[M]- 182.10608 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.