CID 1551278

881-90-3

Structural Information

Molecular Formula
C11H9NO2
SMILES
CC1=N/C(=C/C2=CC=CC=C2)/C(=O)O1
InChI
InChI=1S/C11H9NO2/c1-8-12-10(11(13)14-8)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+
InChIKey
BWQBTJRPSDVWIR-JXMROGBWSA-N
Compound name
(4E)-4-benzylidene-2-methyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

187.06332 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 137.4
[M+Na]+ 210.05254 146.9
[M-H]- 186.05604 143.9
[M+NH4]+ 205.09714 156.4
[M+K]+ 226.02648 144.8
[M+H-H2O]+ 170.06058 130.7
[M+HCOO]- 232.06152 160.8
[M+CH3COO]- 246.07717 179.8
[M+Na-2H]- 208.03799 143.0
[M]+ 187.06277 138.1
[M]- 187.06387 138.1
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