CID 71756185

(1s)-1-(1-phenyl-1h-pyrazol-4-yl)ethan-1-ol

Structural Information

Molecular Formula
C11H12N2O
SMILES
C[C@@H](C1=CN(N=C1)C2=CC=CC=C2)O
InChI
InChI=1S/C11H12N2O/c1-9(14)10-7-12-13(8-10)11-5-3-2-4-6-11/h2-9,14H,1H3/t9-/m0/s1
InChIKey
WDRLPGXWBQXLPI-VIFPVBQESA-N
Compound name
(1S)-1-(1-phenylpyrazol-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

188.09496 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 140.2
[M+Na]+ 211.08418 148.3
[M-H]- 187.08768 143.3
[M+NH4]+ 206.12878 158.2
[M+K]+ 227.05812 145.1
[M+H-H2O]+ 171.09222 132.4
[M+HCOO]- 233.09316 161.5
[M+CH3COO]- 247.10881 179.7
[M+Na-2H]- 209.06963 144.9
[M]+ 188.09441 139.4
[M]- 188.09551 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.