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

14
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

literature stripe

Patent stripe

patents stripe