CID 90534

24539-60-4

Structural Information

Molecular Formula
C18H26O4
SMILES
CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O
InChI
InChI=1S/C18H26O4/c1-2-3-4-5-6-7-8-11-14-22-18(21)16-13-10-9-12-15(16)17(19)20/h9-10,12-13H,2-8,11,14H2,1H3,(H,19,20)
InChIKey
FEFCILUKYGHITK-UHFFFAOYSA-N
Compound name
2-decoxycarbonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

3540
Patents

306.1831 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.19038 176.1
[M+Na]+ 329.17232 180.0
[M-H]- 305.17582 177.1
[M+NH4]+ 324.21692 190.1
[M+K]+ 345.14626 177.0
[M+H-H2O]+ 289.18036 168.8
[M+HCOO]- 351.18130 195.4
[M+CH3COO]- 365.19695 204.3
[M+Na-2H]- 327.15777 175.8
[M]+ 306.18255 180.8
[M]- 306.18365 180.8
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