CID 688239

145361-91-7

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

37
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 153.8
[M+Na]+ 275.08900 162.1
[M-H]- 251.09250 158.0
[M+NH4]+ 270.13360 171.5
[M+K]+ 291.06294 161.9
[M+H-H2O]+ 235.09704 148.0
[M+HCOO]- 297.09798 176.1
[M+CH3COO]- 311.11363 193.4
[M+Na-2H]- 273.07445 158.5
[M]+ 252.09923 160.6
[M]- 252.10033 160.6
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