CID 3356746

2-(5-isoxazolyl)-4-methylphenol

Structural Information

Molecular Formula
C10H9NO2
SMILES
CC1=CC(=C(C=C1)O)C2=CC=NO2
InChI
InChI=1S/C10H9NO2/c1-7-2-3-9(12)8(6-7)10-4-5-11-13-10/h2-6,12H,1H3
InChIKey
OZKYVNKXVHASGF-UHFFFAOYSA-N
Compound name
4-methyl-2-(1,2-oxazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

175.06332 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 133.6
[M+Na]+ 198.05254 143.5
[M-H]- 174.05604 139.3
[M+NH4]+ 193.09714 152.6
[M+K]+ 214.02648 141.8
[M+H-H2O]+ 158.06058 127.3
[M+HCOO]- 220.06152 157.0
[M+CH3COO]- 234.07717 176.2
[M+Na-2H]- 196.03799 140.3
[M]+ 175.06277 135.1
[M]- 175.06387 135.1
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.