CID 688239

Tert-butyl 4-formyl-2-methoxyphenyl carbonate

Structural Information

Molecular Formula
C13H16O5
SMILES
CC(C)(C)OC(=O)OC1=C(C=C(C=C1)C=O)OC
InChI
InChI=1S/C13H16O5/c1-13(2,3)18-12(15)17-10-6-5-9(8-14)7-11(10)16-4/h5-8H,1-4H3
InChIKey
QHWDRZQSXVKLON-UHFFFAOYSA-N
Compound name
tert-butyl (4-formyl-2-methoxyphenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

252.09978 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10706 155.1
[M+Na]+ 275.08900 166.1
[M+NH4]+ 270.13360 160.9
[M+K]+ 291.06294 162.1
[M-H]- 251.09250 154.6
[M+Na-2H]- 273.07445 159.5
[M]+ 252.09923 156.3
[M]- 252.10033 156.3
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

patents stripe