CID 6445996

2-(2-phenyl-1-methoxyethenyl)-4,4-dimethyl-2-oxazoline

Structural Information

Molecular Formula
C14H17NO2
SMILES
CC1(COC(=N1)/C(=C/C2=CC=CC=C2)/OC)C
InChI
InChI=1S/C14H17NO2/c1-14(2)10-17-13(15-14)12(16-3)9-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3/b12-9-
InChIKey
LWKLBRCUOUNIHI-XFXZXTDPSA-N
Compound name
2-[(Z)-1-methoxy-2-phenylethenyl]-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

231.12593 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 152.2
[M+Na]+ 254.11515 159.8
[M-H]- 230.11865 158.4
[M+NH4]+ 249.15975 171.3
[M+K]+ 270.08909 158.4
[M+H-H2O]+ 214.12319 145.4
[M+HCOO]- 276.12413 173.5
[M+CH3COO]- 290.13978 188.9
[M+Na-2H]- 252.10060 156.8
[M]+ 231.12538 154.0
[M]- 231.12648 154.0
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