CID 7225

2-methylbenzoxazole

Structural Information

Molecular Formula
C8H7NO
SMILES
CC1=NC2=CC=CC=C2O1
InChI
InChI=1S/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
InChIKey
DQSHFKPKFISSNM-UHFFFAOYSA-N
Compound name
2-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

7
References

5269
Patents

133.05276 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06004 120.8
[M+Na]+ 156.04198 132.3
[M-H]- 132.04548 125.7
[M+NH4]+ 151.08658 143.5
[M+K]+ 172.01592 131.2
[M+H-H2O]+ 116.05002 115.3
[M+HCOO]- 178.05096 146.0
[M+CH3COO]- 192.06661 136.9
[M+Na-2H]- 154.02743 131.4
[M]+ 133.05221 124.4
[M]- 133.05331 124.4
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