CID 177798426

Tert-butyl 2-(2-formyl-4-methylphenoxy)acetate

Structural Information

Molecular Formula
C14H18O4
SMILES
CC1=CC(=C(C=C1)OCC(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C14H18O4/c1-10-5-6-12(11(7-10)8-15)17-9-13(16)18-14(2,3)4/h5-8H,9H2,1-4H3
InChIKey
ZCESYFOXIYTPMA-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2-formyl-4-methylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.12051 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.127786 155.4
[M+Na]+ 273.109728 163.3
[M-H]- 249.113234 159.4
[M+NH4]+ 268.154333 173.2
[M+K]+ 289.083668 162.2
[M+H-H2O]+ 233.117770 149.6
[M+HCOO]- 295.118711 177.1
[M+CH3COO]- 309.134361 194.9
[M+Na-2H]- 271.095176 159.4
[M]+ 250.11996142 161.1
[M]- 250.12105858 161.1
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.