CID 3041217

Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-(4-methoxyphenyl)ethyl)-

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC1(COC(=N1)CCC2=CC=C(C=C2)OC)C
InChI
InChI=1S/C14H19NO2/c1-14(2)10-17-13(15-14)9-6-11-4-7-12(16-3)8-5-11/h4-5,7-8H,6,9-10H2,1-3H3
InChIKey
SQAXHPBQPUHXAK-UHFFFAOYSA-N
Compound name
2-[2-(4-methoxyphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.14159 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 152.0
[M+Na]+ 256.13081 160.5
[M-H]- 232.13431 158.3
[M+NH4]+ 251.17541 171.4
[M+K]+ 272.10475 159.1
[M+H-H2O]+ 216.13885 145.2
[M+HCOO]- 278.13979 174.1
[M+CH3COO]- 292.15544 190.7
[M+Na-2H]- 254.11626 157.2
[M]+ 233.14104 155.6
[M]- 233.14214 155.6
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