CID 54847133

[5-(2-methoxyphenyl)-1h-pyrazol-3-yl]methanol

Structural Information

Molecular Formula
C11H12N2O2
SMILES
COC1=CC=CC=C1C2=NNC(=C2)CO
InChI
InChI=1S/C11H12N2O2/c1-15-11-5-3-2-4-9(11)10-6-8(7-14)12-13-10/h2-6,14H,7H2,1H3,(H,12,13)
InChIKey
IXIODNUPYPVUBO-UHFFFAOYSA-N
Compound name
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

204.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 143.4
[M+Na]+ 227.07909 152.1
[M-H]- 203.08259 145.4
[M+NH4]+ 222.12369 160.3
[M+K]+ 243.05303 148.2
[M+H-H2O]+ 187.08713 135.8
[M+HCOO]- 249.08807 164.4
[M+CH3COO]- 263.10372 179.5
[M+Na-2H]- 225.06454 148.1
[M]+ 204.08932 143.1
[M]- 204.09042 143.1
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