CID 23005838

2-(trimethyl-1h-pyrazol-4-yl)propanoic acid

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC1=C(C(=NN1C)C)C(C)C(=O)O
InChI
InChI=1S/C9H14N2O2/c1-5(9(12)13)8-6(2)10-11(4)7(8)3/h5H,1-4H3,(H,12,13)
InChIKey
UBOCNRCAXLMAIU-UHFFFAOYSA-N
Compound name
2-(1,3,5-trimethylpyrazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 140.8
[M+Na]+ 205.09475 151.2
[M+NH4]+ 200.13935 147.0
[M+K]+ 221.06869 149.4
[M-H]- 181.09825 139.5
[M+Na-2H]- 203.08020 143.6
[M]+ 182.10498 141.6
[M]- 182.10608 141.6
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.