CID 3292215

9-phenylnonanoic acid

Structural Information

Molecular Formula
C15H22O2
SMILES
C1=CC=C(C=C1)CCCCCCCCC(=O)O
InChI
InChI=1S/C15H22O2/c16-15(17)13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2,(H,16,17)
InChIKey
URWLWLXGACJYCO-UHFFFAOYSA-N
Compound name
9-phenylnonanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

173
Patents

234.16199 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 157.9
[M+Na]+ 257.151208 162.3
[M-H]- 233.154714 159.0
[M+NH4]+ 252.195813 174.8
[M+K]+ 273.125148 158.9
[M+H-H2O]+ 217.159250 151.2
[M+HCOO]- 279.160191 178.6
[M+CH3COO]- 293.175841 190.8
[M+Na-2H]- 255.136656 161.1
[M]+ 234.16144142 159.6
[M]- 234.16253858 159.6
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