CID 3065710

108651-13-4

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CC1=CC=CC=C1NC(=O)C2=NOC(=C2)C
InChI
InChI=1S/C12H12N2O2/c1-8-5-3-4-6-10(8)13-12(15)11-7-9(2)16-14-11/h3-7H,1-2H3,(H,13,15)
InChIKey
VVORRSQVJKITJQ-UHFFFAOYSA-N
Compound name
5-methyl-N-(2-methylphenyl)-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08987 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 146.9
[M+Na]+ 239.079088 155.4
[M-H]- 215.082594 153.7
[M+NH4]+ 234.123693 164.4
[M+K]+ 255.053028 153.9
[M+H-H2O]+ 199.087130 139.5
[M+HCOO]- 261.088071 171.2
[M+CH3COO]- 275.103721 189.1
[M+Na-2H]- 237.064536 152.1
[M]+ 216.08932142 148.7
[M]- 216.09041858 148.7
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

No patent data available for this compound.