CID 155943302

3,3-dimethyl-2-(1h-pyrazol-3-yl)butanoicacid

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC(C)(C)C(C1=CC=NN1)C(=O)O
InChI
InChI=1S/C9H14N2O2/c1-9(2,3)7(8(12)13)6-4-5-10-11-6/h4-5,7H,1-3H3,(H,10,11)(H,12,13)
InChIKey
WHFCBVSRJSFOPQ-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2-(1H-pyrazol-5-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 141.1
[M+Na]+ 205.09475 149.5
[M+NH4]+ 200.13935 146.7
[M+K]+ 221.06869 148.8
[M-H]- 181.09825 138.5
[M+Na-2H]- 203.08020 144.0
[M]+ 182.10498 141.1
[M]- 182.10608 141.1
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.