CID 483258

2-[5-methyl-3-(5-methyl-isoxazol-3-yl)-pyrazol-1-yl]-ethanol

Structural Information

Molecular Formula
C10H13N3O2
SMILES
CC1=CC(=NN1CCO)C2=NOC(=C2)C
InChI
InChI=1S/C10H13N3O2/c1-7-5-9(11-13(7)3-4-14)10-6-8(2)15-12-10/h5-6,14H,3-4H2,1-2H3
InChIKey
BIQMRNKVABYFCI-UHFFFAOYSA-N
Compound name
2-[5-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

207.10077 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 142.7
[M+Na]+ 230.08999 154.2
[M-H]- 206.09349 146.3
[M+NH4]+ 225.13459 159.8
[M+K]+ 246.06393 152.4
[M+H-H2O]+ 190.09803 135.3
[M+HCOO]- 252.09897 165.4
[M+CH3COO]- 266.11462 183.2
[M+Na-2H]- 228.07544 146.5
[M]+ 207.10022 147.7
[M]- 207.10132 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.