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]+ 251.12779 157.6
[M+Na]+ 273.10973 168.8
[M+NH4]+ 268.15433 164.0
[M+K]+ 289.08367 162.5
[M-H]- 249.11323 158.1
[M+Na-2H]- 271.09518 162.4
[M]+ 250.11996 159.1
[M]- 250.12106 159.1
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.