CID 4737651

610260-63-4

Structural Information

Molecular Formula
C13H13NO3
SMILES
CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C=O
InChI
InChI=1S/C13H13NO3/c1-9-13(10(2)17-14-9)8-16-12-5-3-11(7-15)4-6-12/h3-7H,8H2,1-2H3
InChIKey
LMLHECCOGOQRMS-UHFFFAOYSA-N
Compound name
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08954 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 148.9
[M+Na]+ 254.07876 158.9
[M-H]- 230.08226 155.8
[M+NH4]+ 249.12336 166.4
[M+K]+ 270.05270 157.4
[M+H-H2O]+ 214.08680 141.8
[M+HCOO]- 276.08774 173.1
[M+CH3COO]- 290.10339 190.3
[M+Na-2H]- 252.06421 153.7
[M]+ 231.08899 154.3
[M]- 231.09009 154.3
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

No patent data available for this compound.