CID 40427074

(1-methyl-3-phenyl-1h-pyrazol-4-yl)methanol

Structural Information

Molecular Formula
C11H12N2O
SMILES
CN1C=C(C(=N1)C2=CC=CC=C2)CO
InChI
InChI=1S/C11H12N2O/c1-13-7-10(8-14)11(12-13)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3
InChIKey
UWAIFNHWQVDCRD-UHFFFAOYSA-N
Compound name
(1-methyl-3-phenylpyrazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 139.8
[M+Na]+ 211.08418 149.1
[M-H]- 187.08768 143.1
[M+NH4]+ 206.12878 158.2
[M+K]+ 227.05812 145.5
[M+H-H2O]+ 171.09222 132.2
[M+HCOO]- 233.09316 162.1
[M+CH3COO]- 247.10881 180.0
[M+Na-2H]- 209.06963 145.0
[M]+ 188.09441 140.0
[M]- 188.09551 140.0
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.