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

24
Patents

160.06366 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 129.9
[M+Na]+ 183.052878 139.7
[M-H]- 159.056384 135.1
[M+NH4]+ 178.097483 148.5
[M+K]+ 199.026818 138.5
[M+H-H2O]+ 143.060920 122.3
[M+HCOO]- 205.061861 153.4
[M+CH3COO]- 219.077511 144.5
[M+Na-2H]- 181.038326 138.0
[M]+ 160.06311142 131.4
[M]- 160.06420858 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