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]+ 204.10192 144.2
[M+Na]+ 226.08386 157.7
[M+NH4]+ 221.12846 152.5
[M+K]+ 242.05780 152.8
[M-H]- 202.08736 148.5
[M+Na-2H]- 224.06931 151.9
[M]+ 203.09409 147.3
[M]- 203.09519 147.3
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.