CID 18960

3459-45-8

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]+ 241.122316 155.3
[M+Na]+ 263.104258 161.6
[M-H]- 239.107764 158.0
[M+NH4]+ 258.148863 173.0
[M+K]+ 279.078198 157.2
[M+H-H2O]+ 223.112300 148.9
[M+HCOO]- 285.113241 174.7
[M+CH3COO]- 299.128891 191.8
[M+Na-2H]- 261.089706 159.4
[M]+ 240.11449142 155.0
[M]- 240.11558858 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.