CID 10487884

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

Structural Information

Molecular Formula
C11H11NO2
SMILES
C1=CC=C(C=C1)CC2=NOC(=C2)CO
InChI
InChI=1S/C11H11NO2/c13-8-11-7-10(12-14-11)6-9-4-2-1-3-5-9/h1-5,7,13H,6,8H2
InChIKey
SKCJRQAZVNRZHY-UHFFFAOYSA-N
Compound name
(3-benzyl-1,2-oxazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 138.4
[M+Na]+ 212.06820 146.9
[M-H]- 188.07170 143.5
[M+NH4]+ 207.11280 156.5
[M+K]+ 228.04214 144.9
[M+H-H2O]+ 172.07624 131.6
[M+HCOO]- 234.07718 161.4
[M+CH3COO]- 248.09283 178.1
[M+Na-2H]- 210.05365 145.3
[M]+ 189.07843 139.8
[M]- 189.07953 139.8
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