CID 11104

Guaiacol carbonate

Structural Information

Molecular Formula
C15H14O5
SMILES
COC1=CC=CC=C1OC(=O)OC2=CC=CC=C2OC
InChI
InChI=1S/C15H14O5/c1-17-11-7-3-5-9-13(11)19-15(16)20-14-10-6-4-8-12(14)18-2/h3-10H,1-2H3
InChIKey
ORUJFMPWKPVXLZ-UHFFFAOYSA-N
Compound name
bis(2-methoxyphenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

821
Patents

274.08414 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.091416 159.2
[M+Na]+ 297.073358 166.9
[M-H]- 273.076864 166.3
[M+NH4]+ 292.117963 175.2
[M+K]+ 313.047298 165.8
[M+H-H2O]+ 257.081400 151.2
[M+HCOO]- 319.082341 183.5
[M+CH3COO]- 333.097991 196.3
[M+Na-2H]- 295.058806 164.2
[M]+ 274.08359142 165.0
[M]- 274.08468858 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe