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]+ 205.097146 143.4
[M+Na]+ 227.079088 152.1
[M-H]- 203.082594 145.4
[M+NH4]+ 222.123693 160.3
[M+K]+ 243.053028 148.2
[M+H-H2O]+ 187.087130 135.8
[M+HCOO]- 249.088071 164.4
[M+CH3COO]- 263.103721 179.5
[M+Na-2H]- 225.064536 148.1
[M]+ 204.08932142 143.1
[M]- 204.09041858 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