CID 2776519

113826-87-2

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC1=NOC(=C1CO)C2=CC=CC=C2
InChI
InChI=1S/C11H11NO2/c1-8-10(7-13)11(14-12-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3
InChIKey
KVWBXAICROMJFG-UHFFFAOYSA-N
Compound name
(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

189.07898 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 139.3
[M+Na]+ 212.06820 153.3
[M+NH4]+ 207.11280 147.8
[M+K]+ 228.04214 148.9
[M-H]- 188.07170 143.6
[M+Na-2H]- 210.05365 147.0
[M]+ 189.07843 142.6
[M]- 189.07953 142.6
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