CID 27266

2-(naphthalen-2-yl)butanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
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 147.1
[M+Na]+ 237.08860 160.4
[M+NH4]+ 232.13320 155.9
[M+K]+ 253.06254 153.6
[M-H]- 213.09210 149.5
[M+Na-2H]- 235.07405 153.7
[M]+ 214.09883 149.7
[M]- 214.09993 149.7
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

patents stripe