CID 136816834

1399653-23-6

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC1=C(C=CC(=C1)C2=C(C=NO2)C)O
InChI
InChI=1S/C11H11NO2/c1-7-5-9(3-4-10(7)13)11-8(2)6-12-14-11/h3-6,13H,1-2H3
InChIKey
FOAQDDDDRAMQPH-UHFFFAOYSA-N
Compound name
2-methyl-4-(4-methyl-1,2-oxazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.07898 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 138.2
[M+Na]+ 212.068198 148.5
[M-H]- 188.071704 144.1
[M+NH4]+ 207.112803 156.9
[M+K]+ 228.042138 146.6
[M+H-H2O]+ 172.076240 131.9
[M+HCOO]- 234.077181 161.2
[M+CH3COO]- 248.092831 180.4
[M+Na-2H]- 210.053646 143.6
[M]+ 189.07843142 140.4
[M]- 189.07952858 140.4
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.