CID 1481082

(5-phenyl-1,2-oxazol-3-yl)methanol

Structural Information

Molecular Formula
C10H9NO2
SMILES
C1=CC=C(C=C1)C2=CC(=NO2)CO
InChI
InChI=1S/C10H9NO2/c12-7-9-6-10(13-11-9)8-4-2-1-3-5-8/h1-6,12H,7H2
InChIKey
BPAFLGGUEBMWRN-UHFFFAOYSA-N
Compound name
(5-phenyl-1,2-oxazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

96
Patents

175.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 133.7
[M+Na]+ 198.05254 142.6
[M-H]- 174.05604 138.9
[M+NH4]+ 193.09714 152.4
[M+K]+ 214.02648 140.9
[M+H-H2O]+ 158.06058 127.1
[M+HCOO]- 220.06152 157.0
[M+CH3COO]- 234.07717 147.9
[M+Na-2H]- 196.03799 141.1
[M]+ 175.06277 134.7
[M]- 175.06387 134.7
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