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]+ 190.08626 138.2
[M+Na]+ 212.06820 148.5
[M-H]- 188.07170 144.1
[M+NH4]+ 207.11280 156.9
[M+K]+ 228.04214 146.6
[M+H-H2O]+ 172.07624 131.9
[M+HCOO]- 234.07718 161.2
[M+CH3COO]- 248.09283 180.4
[M+Na-2H]- 210.05365 143.6
[M]+ 189.07843 140.4
[M]- 189.07953 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.