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]+ 237.11214 152.3
[M+Na]+ 259.09408 159.2
[M-H]- 235.09758 155.7
[M+NH4]+ 254.13868 170.2
[M+K]+ 275.06802 157.8
[M+H-H2O]+ 219.10212 145.7
[M+HCOO]- 281.10306 175.9
[M+CH3COO]- 295.11871 190.4
[M+Na-2H]- 257.07953 156.5
[M]+ 236.10431 157.7
[M]- 236.10541 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.