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

36
Patents

252.09978 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.107056 153.8
[M+Na]+ 275.088998 162.1
[M-H]- 251.092504 158.0
[M+NH4]+ 270.133603 171.5
[M+K]+ 291.062938 161.9
[M+H-H2O]+ 235.097040 148.0
[M+HCOO]- 297.097981 176.1
[M+CH3COO]- 311.113631 193.4
[M+Na-2H]- 273.074446 158.5
[M]+ 252.09923142 160.6
[M]- 252.10032858 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