CID 2526674

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

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)CO
InChI
InChI=1S/C12H14N2O/c1-9-12(8-15)10(2)14(13-9)11-6-4-3-5-7-11/h3-7,15H,8H2,1-2H3
InChIKey
JMWWSNPRAOYPSF-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

202.11061 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 144.3
[M+Na]+ 225.09983 154.1
[M-H]- 201.10333 147.9
[M+NH4]+ 220.14443 162.4
[M+K]+ 241.07377 150.3
[M+H-H2O]+ 185.10787 136.8
[M+HCOO]- 247.10881 166.3
[M+CH3COO]- 261.12446 184.1
[M+Na-2H]- 223.08528 148.2
[M]+ 202.11006 145.3
[M]- 202.11116 145.3
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