CID 135949929

4-ethyl-2-(1h-pyrazol-3-yl)phenol

Structural Information

Molecular Formula
C11H12N2O
SMILES
CCC1=CC(=C(C=C1)O)C2=CC=NN2
InChI
InChI=1S/C11H12N2O/c1-2-8-3-4-11(14)9(7-8)10-5-6-12-13-10/h3-7,14H,2H2,1H3,(H,12,13)
InChIKey
TZMRUQWCXUZYKL-UHFFFAOYSA-N
Compound name
4-ethyl-2-(1H-pyrazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09496 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 140.4
[M+Na]+ 211.08418 149.3
[M-H]- 187.08768 142.4
[M+NH4]+ 206.12878 158.1
[M+K]+ 227.05812 144.8
[M+H-H2O]+ 171.09222 133.1
[M+HCOO]- 233.09316 161.2
[M+CH3COO]- 247.10881 153.0
[M+Na-2H]- 209.06963 145.2
[M]+ 188.09441 138.8
[M]- 188.09551 138.8
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.