CID 400760

1,10-bis(4-carboxyphenoxy)decane

Structural Information

Molecular Formula
C24H30O6
SMILES
C1=CC(=CC=C1C(=O)O)OCCCCCCCCCCOC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C24H30O6/c25-23(26)19-9-13-21(14-10-19)29-17-7-5-3-1-2-4-6-8-18-30-22-15-11-20(12-16-22)24(27)28/h9-16H,1-8,17-18H2,(H,25,26)(H,27,28)
InChIKey
XRDKWFXOXXUQJS-UHFFFAOYSA-N
Compound name
4-[10-(4-carboxyphenoxy)decoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

54
Patents

414.20422 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.211496 201.7
[M+Na]+ 437.193438 203.9
[M-H]- 413.196944 204.0
[M+NH4]+ 432.238043 209.8
[M+K]+ 453.167378 199.8
[M+H-H2O]+ 397.201480 192.1
[M+HCOO]- 459.202421 219.0
[M+CH3COO]- 473.218071 221.6
[M+Na-2H]- 435.178886 199.8
[M]+ 414.20367142 207.0
[M]- 414.20476858 207.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe