CID 5899333

Nsc636407

Structural Information

Molecular Formula
C12H11NO2
SMILES
CC1=CC=CC=C1/C=C/2\C(=O)OC(=N2)C
InChI
InChI=1S/C12H11NO2/c1-8-5-3-4-6-10(8)7-11-12(14)15-9(2)13-11/h3-7H,1-2H3/b11-7+
InChIKey
UMESNHVJZFCGBV-YRNVUSSQSA-N
Compound name
(4E)-2-methyl-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07898 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 141.6
[M+Na]+ 224.06820 151.7
[M-H]- 200.07170 148.5
[M+NH4]+ 219.11280 160.5
[M+K]+ 240.04214 149.3
[M+H-H2O]+ 184.07624 135.1
[M+HCOO]- 246.07718 164.8
[M+CH3COO]- 260.09283 184.0
[M+Na-2H]- 222.05365 146.0
[M]+ 201.07843 143.1
[M]- 201.07953 143.1
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.