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

16
Patents

219.12593 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 148.8
[M+Na]+ 242.115148 156.7
[M-H]- 218.118654 154.9
[M+NH4]+ 237.159753 166.6
[M+K]+ 258.089088 155.4
[M+H-H2O]+ 202.123190 141.6
[M+HCOO]- 264.124131 171.2
[M+CH3COO]- 278.139781 188.2
[M+Na-2H]- 240.100596 153.3
[M]+ 219.12538142 151.7
[M]- 219.12647858 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