CID 54847426

(4-methyl-3-phenyl-1h-pyrazol-5-yl)methanol

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC1=C(NN=C1C2=CC=CC=C2)CO
InChI
InChI=1S/C11H12N2O/c1-8-10(7-14)12-13-11(8)9-5-3-2-4-6-9/h2-6,14H,7H2,1H3,(H,12,13)
InChIKey
MBUYFCPCTRRQQN-UHFFFAOYSA-N
Compound name
(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

188.09496 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 140.4
[M+Na]+ 211.084178 149.3
[M-H]- 187.087684 142.4
[M+NH4]+ 206.128783 158.1
[M+K]+ 227.058118 144.8
[M+H-H2O]+ 171.092220 133.1
[M+HCOO]- 233.093161 161.2
[M+CH3COO]- 247.108811 153.0
[M+Na-2H]- 209.069626 145.2
[M]+ 188.09441142 138.8
[M]- 188.09550858 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

patents stripe