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

26
Patents

180.04225 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.049526 133.4
[M+Na]+ 203.031468 142.1
[M-H]- 179.034974 137.6
[M+NH4]+ 198.076073 153.5
[M+K]+ 219.005408 141.7
[M+H-H2O]+ 163.039510 127.6
[M+HCOO]- 225.040451 158.4
[M+CH3COO]- 239.056101 178.3
[M+Na-2H]- 201.016916 139.8
[M]+ 180.04170142 137.3
[M]- 180.04279858 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