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

4
Patents

202.11061 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 144.4
[M+Na]+ 225.09983 153.3
[M-H]- 201.10333 147.5
[M+NH4]+ 220.14443 162.2
[M+K]+ 241.07377 149.4
[M+H-H2O]+ 185.10787 136.5
[M+HCOO]- 247.10881 166.4
[M+CH3COO]- 261.12446 183.0
[M+Na-2H]- 223.08528 149.1
[M]+ 202.11006 144.9
[M]- 202.11116 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