CID 12848037

85903-31-7

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC1=CC(=NO1)C2=CC=CC=N2
InChI
InChI=1S/C9H8N2O/c1-7-6-9(11-12-7)8-4-2-3-5-10-8/h2-6H,1H3
InChIKey
AEWOSLUFNXTPSI-UHFFFAOYSA-N
Compound name
5-methyl-3-pyridin-2-yl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

160.06366 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 129.9
[M+Na]+ 183.05288 139.7
[M-H]- 159.05638 135.1
[M+NH4]+ 178.09748 148.5
[M+K]+ 199.02682 138.5
[M+H-H2O]+ 143.06092 122.3
[M+HCOO]- 205.06186 153.4
[M+CH3COO]- 219.07751 144.5
[M+Na-2H]- 181.03833 138.0
[M]+ 160.06311 131.4
[M]- 160.06421 131.4
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

patents stripe