CID 3084916

Carbonic acid, 4-formylphenyl hexyl ester

Structural Information

Molecular Formula
C14H18O4
SMILES
CCCCCCOC(=O)OC1=CC=C(C=C1)C=O
InChI
InChI=1S/C14H18O4/c1-2-3-4-5-10-17-14(16)18-13-8-6-12(11-15)7-9-13/h6-9,11H,2-5,10H2,1H3
InChIKey
QUZPBRHYLCSBOJ-UHFFFAOYSA-N
Compound name
(4-formylphenyl) hexyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.12051 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.127786 157.0
[M+Na]+ 273.109728 163.5
[M-H]- 249.113234 160.2
[M+NH4]+ 268.154333 174.3
[M+K]+ 289.083668 161.8
[M+H-H2O]+ 233.117770 150.2
[M+HCOO]- 295.118711 180.3
[M+CH3COO]- 309.134361 193.4
[M+Na-2H]- 271.095176 160.7
[M]+ 250.11996142 162.7
[M]- 250.12105858 162.7
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.