CID 1550070

(z)-2-methyl-4-(4-methylbenzylidene)oxazol-5(4h)-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

literature stripe

Patent stripe

patents stripe