CID 586708

Nonyl 4-hydroxybenzoate

Structural Information

Molecular Formula
C16H24O3
SMILES
CCCCCCCCCOC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-13-19-16(18)14-9-11-15(17)12-10-14/h9-12,17H,2-8,13H2,1H3
InChIKey
MBNSKHJDYXPONL-UHFFFAOYSA-N
Compound name
nonyl 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

148
Patents

264.17255 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.179826 165.2
[M+Na]+ 287.161768 170.1
[M-H]- 263.165274 166.5
[M+NH4]+ 282.206373 181.2
[M+K]+ 303.135708 167.0
[M+H-H2O]+ 247.169810 158.3
[M+HCOO]- 309.170751 185.8
[M+CH3COO]- 323.186401 196.3
[M+Na-2H]- 285.147216 167.2
[M]+ 264.17200142 169.1
[M]- 264.17309858 169.1
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