CID 5105200

3-(decyloxy)benzoic acid

Structural Information

Molecular Formula
C17H26O3
SMILES
CCCCCCCCCCOC1=CC=CC(=C1)C(=O)O
InChI
InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-13-20-16-12-10-11-15(14-16)17(18)19/h10-12,14H,2-9,13H2,1H3,(H,18,19)
InChIKey
GQQMIUHFDWGLCQ-UHFFFAOYSA-N
Compound name
3-decoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

278.1882 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.195476 169.6
[M+Na]+ 301.177418 173.9
[M-H]- 277.180924 170.6
[M+NH4]+ 296.222023 184.9
[M+K]+ 317.151358 170.6
[M+H-H2O]+ 261.185460 162.4
[M+HCOO]- 323.186401 189.8
[M+CH3COO]- 337.202051 199.9
[M+Na-2H]- 299.162866 171.0
[M]+ 278.18765142 173.9
[M]- 278.18874858 173.9
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

patents stripe