CID 483257

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

Structural Information

Molecular Formula
C10H13N3O2
SMILES
CC1=CC(=NO1)C2=CC(=NN2CCO)C
InChI
InChI=1S/C10H13N3O2/c1-7-5-10(13(11-7)3-4-14)9-6-8(2)15-12-9/h5-6,14H,3-4H2,1-2H3
InChIKey
ULQQYTHNJKZEJP-UHFFFAOYSA-N
Compound name
2-[3-methyl-5-(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]+ 208.108046 142.7
[M+Na]+ 230.089988 154.2
[M-H]- 206.093494 146.3
[M+NH4]+ 225.134593 159.8
[M+K]+ 246.063928 152.4
[M+H-H2O]+ 190.098030 135.3
[M+HCOO]- 252.098971 165.4
[M+CH3COO]- 266.114621 183.2
[M+Na-2H]- 228.075436 146.5
[M]+ 207.10022142 147.7
[M]- 207.10131858 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.