CID 289454

Dodecyloxybenzoic acid

Structural Information

Molecular Formula
C19H30O3
SMILES
CCCCCCCCCCCCOC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-22-18-15-12-11-14-17(18)19(20)21/h11-12,14-15H,2-10,13,16H2,1H3,(H,20,21)
InChIKey
GTRHHOMIEMLBPC-UHFFFAOYSA-N
Compound name
2-dodecoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

302
Patents

306.21948 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.22676 178.1
[M+Na]+ 329.20870 188.2
[M+NH4]+ 324.25330 184.2
[M+K]+ 345.18264 180.4
[M-H]- 305.21220 178.7
[M+Na-2H]- 327.19415 181.6
[M]+ 306.21893 179.5
[M]- 306.22003 179.5
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