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]+ 234.123696 151.5
[M+Na]+ 256.105638 160.2
[M-H]- 232.109144 154.6
[M+NH4]+ 251.150243 167.6
[M+K]+ 272.079578 156.5
[M+H-H2O]+ 216.113680 143.3
[M+HCOO]- 278.114621 174.1
[M+CH3COO]- 292.130271 190.6
[M+Na-2H]- 254.091086 155.0
[M]+ 233.11587142 152.2
[M]- 233.11696858 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.