CID 10921597

[3-(2-phenylethyl)-1,2-oxazol-5-yl]methanol

Structural Information

Molecular Formula
C12H13NO2
SMILES
C1=CC=C(C=C1)CCC2=NOC(=C2)CO
InChI
InChI=1S/C12H13NO2/c14-9-12-8-11(13-15-12)7-6-10-4-2-1-3-5-10/h1-5,8,14H,6-7,9H2
InChIKey
SWTNBQGKLVJGRU-UHFFFAOYSA-N
Compound name
[3-(2-phenylethyl)-1,2-oxazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.09464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.101916 143.1
[M+Na]+ 226.083858 151.1
[M-H]- 202.087364 148.0
[M+NH4]+ 221.128463 160.6
[M+K]+ 242.057798 148.9
[M+H-H2O]+ 186.091900 136.1
[M+HCOO]- 248.092841 165.8
[M+CH3COO]- 262.108491 181.1
[M+Na-2H]- 224.069306 149.4
[M]+ 203.09409142 144.8
[M]- 203.09518858 144.8
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.