CID 50989241

1-(4-methoxyphenyl)-2-(1h-pyrazol-1-yl)propan-1-ol

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CC(C(C1=CC=C(C=C1)OC)O)N2C=CC=N2
InChI
InChI=1S/C13H16N2O2/c1-10(15-9-3-8-14-15)13(16)11-4-6-12(17-2)7-5-11/h3-10,13,16H,1-2H3
InChIKey
GDISAVSZXXPIDU-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2-pyrazol-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 152.6
[M+Na]+ 255.11041 159.3
[M-H]- 231.11391 155.5
[M+NH4]+ 250.15501 168.6
[M+K]+ 271.08435 156.8
[M+H-H2O]+ 215.11845 144.3
[M+HCOO]- 277.11939 172.4
[M+CH3COO]- 291.13504 188.6
[M+Na-2H]- 253.09586 155.1
[M]+ 232.12064 153.3
[M]- 232.12174 153.3
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

No patent data available for this compound.