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 157.0
[M+Na]+ 273.10973 163.5
[M-H]- 249.11323 160.2
[M+NH4]+ 268.15433 174.3
[M+K]+ 289.08367 161.8
[M+H-H2O]+ 233.11777 150.2
[M+HCOO]- 295.11871 180.3
[M+CH3COO]- 309.13436 193.4
[M+Na-2H]- 271.09518 160.7
[M]+ 250.11996 162.7
[M]- 250.12106 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.