CID 16228461

2-[5-amino-3-(3-methoxyphenyl)-1h-pyrazol-1-yl]ethan-1-ol

Structural Information

Molecular Formula
C12H15N3O2
SMILES
COC1=CC=CC(=C1)C2=NN(C(=C2)N)CCO
InChI
InChI=1S/C12H15N3O2/c1-17-10-4-2-3-9(7-10)11-8-12(13)15(14-11)5-6-16/h2-4,7-8,16H,5-6,13H2,1H3
InChIKey
XXAJQYWJGFBXQU-UHFFFAOYSA-N
Compound name
2-[5-amino-3-(3-methoxyphenyl)pyrazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.11642 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 151.5
[M+Na]+ 256.10564 160.2
[M-H]- 232.10914 154.6
[M+NH4]+ 251.15024 167.6
[M+K]+ 272.07958 156.5
[M+H-H2O]+ 216.11368 143.3
[M+HCOO]- 278.11462 174.1
[M+CH3COO]- 292.13027 190.6
[M+Na-2H]- 254.09109 155.0
[M]+ 233.11587 152.2
[M]- 233.11697 152.2
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.