CID 3041214

P-1891

Structural Information

Molecular Formula
C13H17NO2
SMILES
CCC1COC(=N1)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C13H17NO2/c1-3-11-9-16-13(14-11)8-10-4-6-12(15-2)7-5-10/h4-7,11H,3,8-9H2,1-2H3
InChIKey
VEAXDBKPLRSNBZ-UHFFFAOYSA-N
Compound name
4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

219.12593 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 148.8
[M+Na]+ 242.11515 156.7
[M-H]- 218.11865 154.9
[M+NH4]+ 237.15975 166.6
[M+K]+ 258.08909 155.4
[M+H-H2O]+ 202.12319 141.6
[M+HCOO]- 264.12413 171.2
[M+CH3COO]- 278.13978 188.2
[M+Na-2H]- 240.10060 153.3
[M]+ 219.12538 151.7
[M]- 219.12648 151.7
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