CID 3084915

Carbonic acid, 4-formylphenyl pentyl ester

Structural Information

Molecular Formula
C13H16O4
SMILES
CCCCCOC(=O)OC1=CC=C(C=C1)C=O
InChI
InChI=1S/C13H16O4/c1-2-3-4-9-16-13(15)17-12-7-5-11(10-14)6-8-12/h5-8,10H,2-4,9H2,1H3
InChIKey
KOACVIOKTRPNAA-UHFFFAOYSA-N
Compound name
(4-formylphenyl) pentyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10486 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.112136 152.3
[M+Na]+ 259.094078 159.2
[M-H]- 235.097584 155.7
[M+NH4]+ 254.138683 170.2
[M+K]+ 275.068018 157.8
[M+H-H2O]+ 219.102120 145.7
[M+HCOO]- 281.103061 175.9
[M+CH3COO]- 295.118711 190.4
[M+Na-2H]- 257.079526 156.5
[M]+ 236.10431142 157.7
[M]- 236.10540858 157.7
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

No patent data available for this compound.