CID 2758858

Ethyl 3-iso-propoxybenzoylformate

Structural Information

Molecular Formula
C13H16O4
SMILES
CCOC(=O)C(=O)C1=CC(=CC=C1)OC(C)C
InChI
InChI=1S/C13H16O4/c1-4-16-13(15)12(14)10-6-5-7-11(8-10)17-9(2)3/h5-9H,4H2,1-3H3
InChIKey
LVDKOUVDXCVLRG-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-2-(3-propan-2-yloxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10486 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.112136 152.0
[M+Na]+ 259.094078 158.3
[M-H]- 235.097584 155.5
[M+NH4]+ 254.138683 169.6
[M+K]+ 275.068018 157.9
[M+H-H2O]+ 219.102120 145.6
[M+HCOO]- 281.103061 173.6
[M+CH3COO]- 295.118711 192.8
[M+Na-2H]- 257.079526 153.8
[M]+ 236.10431142 156.2
[M]- 236.10540858 156.2
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.