CID 2724970

5-methylbenzoxazole

Structural Information

Molecular Formula
C8H7NO
SMILES
CC1=CC2=C(C=C1)OC=N2
InChI
InChI=1S/C8H7NO/c1-6-2-3-8-7(4-6)9-5-10-8/h2-5H,1H3
InChIKey
UBIAVBGIRDRQLD-UHFFFAOYSA-N
Compound name
5-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2206
Patents

133.05276 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06004 121.4
[M+Na]+ 156.04198 136.7
[M+NH4]+ 151.08658 131.5
[M+K]+ 172.01592 131.7
[M-H]- 132.04548 125.4
[M+Na-2H]- 154.02743 129.5
[M]+ 133.05221 124.9
[M]- 133.05331 124.9
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