CID 2779168

57193-17-6

Structural Information

Molecular Formula
C13H17NO3
SMILES
CC1(COC(=N1)C2=CC(=C(C=C2)OC)OC)C
InChI
InChI=1S/C13H17NO3/c1-13(2)8-17-12(14-13)9-5-6-10(15-3)11(7-9)16-4/h5-7H,8H2,1-4H3
InChIKey
LLBMTOGCQQKFAR-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

235.12085 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 149.7
[M+Na]+ 258.11007 159.4
[M-H]- 234.11357 156.6
[M+NH4]+ 253.15467 169.2
[M+K]+ 274.08401 158.9
[M+H-H2O]+ 218.11811 143.3
[M+HCOO]- 280.11905 172.3
[M+CH3COO]- 294.13470 190.9
[M+Na-2H]- 256.09552 154.9
[M]+ 235.12030 154.8
[M]- 235.12140 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe