CID 85743515

194490-54-5

Structural Information

Molecular Formula
C14H18O5
SMILES
CC(C)(C)OC(=O)COC1=C(C=CC=C1OC)C=O
InChI
InChI=1S/C14H18O5/c1-14(2,3)19-12(16)9-18-13-10(8-15)6-5-7-11(13)17-4/h5-8H,9H2,1-4H3
InChIKey
BHGCBIJEENWXDP-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2-formyl-6-methoxyphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.11542 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12270 158.3
[M+Na]+ 289.10464 166.1
[M-H]- 265.10814 162.3
[M+NH4]+ 284.14924 175.4
[M+K]+ 305.07858 165.6
[M+H-H2O]+ 249.11268 152.3
[M+HCOO]- 311.11362 180.3
[M+CH3COO]- 325.12927 197.0
[M+Na-2H]- 287.09009 162.5
[M]+ 266.11487 165.5
[M]- 266.11597 165.5
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.