CID 5375062

(4z)-4-benzylidene-3-methyl-1,2-oxazol-5-one

Structural Information

Molecular Formula
C11H9NO2
SMILES
CC\1=NOC(=O)/C1=C\C2=CC=CC=C2
InChI
InChI=1S/C11H9NO2/c1-8-10(11(13)14-12-8)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7-
InChIKey
KNHMTOFSFRMLRQ-YFHOEESVSA-N
Compound name
(4Z)-4-benzylidene-3-methyl-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

187.06332 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.070596 137.4
[M+Na]+ 210.052538 146.9
[M-H]- 186.056044 143.9
[M+NH4]+ 205.097143 156.4
[M+K]+ 226.026478 144.8
[M+H-H2O]+ 170.060580 130.7
[M+HCOO]- 232.061521 160.8
[M+CH3COO]- 246.077171 179.8
[M+Na-2H]- 208.037986 143.0
[M]+ 187.06277142 138.1
[M]- 187.06386858 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

No patent data available for this compound.