CID 6311587

Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-phenylethenyl)-

Structural Information

Molecular Formula
C13H15NO
SMILES
CC1(COC(=N1)/C=C/C2=CC=CC=C2)C
InChI
InChI=1S/C13H15NO/c1-13(2)10-15-12(14-13)9-8-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3/b9-8+
InChIKey
IVCSIAZWAKWKDI-CMDGGOBGSA-N
Compound name
4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

201.11537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.122646 143.9
[M+Na]+ 224.104588 152.3
[M-H]- 200.108094 150.1
[M+NH4]+ 219.149193 164.3
[M+K]+ 240.078528 150.1
[M+H-H2O]+ 184.112630 137.3
[M+HCOO]- 246.113571 166.4
[M+CH3COO]- 260.129221 183.0
[M+Na-2H]- 222.090036 150.2
[M]+ 201.11482142 144.5
[M]- 201.11591858 144.5
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

patents stripe