CID 146081990

2408966-18-5

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC(C)(C)C1=CN(N=C1C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C14H16N2O2/c1-14(2,3)11-9-16(15-12(11)13(17)18)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,18)
InChIKey
XYQOVKJPNLCWLM-UHFFFAOYSA-N
Compound name
4-tert-butyl-1-phenylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 156.4
[M+Na]+ 267.11041 168.4
[M+NH4]+ 262.15501 162.9
[M+K]+ 283.08435 165.4
[M-H]- 243.11391 157.4
[M+Na-2H]- 265.09586 162.8
[M]+ 244.12064 158.3
[M]- 244.12174 158.3
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.

Patent stripe

No patent data available for this compound.