CID 25248695

3-methyl-2-(4-methyl-1h-pyrazol-1-yl)butanoic acid

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC1=CN(N=C1)C(C(C)C)C(=O)O
InChI
InChI=1S/C9H14N2O2/c1-6(2)8(9(12)13)11-5-7(3)4-10-11/h4-6,8H,1-3H3,(H,12,13)
InChIKey
CLNIGRUJPUHGHO-UHFFFAOYSA-N
Compound name
3-methyl-2-(4-methylpyrazol-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 140.9
[M+Na]+ 205.09475 150.2
[M+NH4]+ 200.13935 147.0
[M+K]+ 221.06869 148.9
[M-H]- 181.09825 139.3
[M+Na-2H]- 203.08020 143.9
[M]+ 182.10498 141.3
[M]- 182.10608 141.3
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.

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No patent data available for this compound.