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 155.3
[M+Na]+ 263.10426 161.6
[M-H]- 239.10776 158.0
[M+NH4]+ 258.14886 173.0
[M+K]+ 279.07820 157.2
[M+H-H2O]+ 223.11230 148.9
[M+HCOO]- 285.11324 174.7
[M+CH3COO]- 299.12889 191.8
[M+Na-2H]- 261.08971 159.4
[M]+ 240.11449 155.0
[M]- 240.11559 155.0
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.