CID 76571

1-naphthyl butyrate

Structural Information

Molecular Formula
C14H14O2
SMILES
CCCC(=O)OC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C14H14O2/c1-2-6-14(15)16-13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3
InChIKey
XIVJNRXPRQKFRZ-UHFFFAOYSA-N
Compound name
naphthalen-1-yl butanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

306
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

patents stripe