CID 2795476

(1-methyl-5-phenyl-1h-pyrazol-4-yl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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

literature stripe

Patent stripe

patents stripe