CID 90429

Carbonic acid, 4-formylphenyl methyl ester

Structural Information

Molecular Formula
C9H8O4
SMILES
COC(=O)OC1=CC=C(C=C1)C=O
InChI
InChI=1S/C9H8O4/c1-12-9(11)13-8-4-2-7(6-10)3-5-8/h2-6H,1H3
InChIKey
GQYLKKWTYKNXIC-UHFFFAOYSA-N
Compound name
(4-formylphenyl) methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

180.04225 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04953 133.4
[M+Na]+ 203.03147 142.1
[M-H]- 179.03497 137.6
[M+NH4]+ 198.07607 153.5
[M+K]+ 219.00541 141.7
[M+H-H2O]+ 163.03951 127.6
[M+HCOO]- 225.04045 158.4
[M+CH3COO]- 239.05610 178.3
[M+Na-2H]- 201.01692 139.8
[M]+ 180.04170 137.3
[M]- 180.04280 137.3
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