CID 66437900

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

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC1=C(C=NN1CC2=CC=CC=C2)CO
InChI
InChI=1S/C12H14N2O/c1-10-12(9-15)7-13-14(10)8-11-5-3-2-4-6-11/h2-7,15H,8-9H2,1H3
InChIKey
MKXLZTDWTYKVAZ-UHFFFAOYSA-N
Compound name
(1-benzyl-5-methylpyrazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

202.11061 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 144.4
[M+Na]+ 225.099828 153.3
[M-H]- 201.103334 147.5
[M+NH4]+ 220.144433 162.2
[M+K]+ 241.073768 149.4
[M+H-H2O]+ 185.107870 136.5
[M+HCOO]- 247.108811 166.4
[M+CH3COO]- 261.124461 183.0
[M+Na-2H]- 223.085276 149.1
[M]+ 202.11006142 144.9
[M]- 202.11115858 144.9
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