CID 347991

2-naphthyl butyrate

Structural Information

Molecular Formula
C14H14O2
SMILES
CCCC(=O)OC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C14H14O2/c1-2-5-14(15)16-13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10H,2,5H2,1H3
InChIKey
KCWQXDQUKLJUEU-UHFFFAOYSA-N
Compound name
naphthalen-2-yl butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

214.09938 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10666 146.8
[M+Na]+ 237.08860 161.0
[M+NH4]+ 232.13320 156.1
[M+K]+ 253.06254 153.1
[M-H]- 213.09210 149.9
[M+Na-2H]- 235.07405 154.4
[M]+ 214.09883 149.8
[M]- 214.09993 149.8
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

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