CID 18960

Acetic acid, 2-(2-butenyl)-2-(1-naphthyl)-, sodium salt

Structural Information

Molecular Formula
C16H16O2
SMILES
C/C=C/CC(C1=CC=CC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C16H16O2/c1-2-3-9-15(16(17)18)14-11-6-8-12-7-4-5-10-13(12)14/h2-8,10-11,15H,9H2,1H3,(H,17,18)/b3-2+
InChIKey
VOKXKVJPXCKBKE-NSCUHMNNSA-N
Compound name
(E)-2-naphthalen-1-ylhex-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.11504 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 155.5
[M+Na]+ 263.10426 168.4
[M+NH4]+ 258.14886 163.7
[M+K]+ 279.07820 161.1
[M-H]- 239.10776 157.6
[M+Na-2H]- 261.08971 161.4
[M]+ 240.11449 157.9
[M]- 240.11559 157.9
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

No patent data available for this compound.