CID 220395

4-(naphthalen-2-yl)butanoic acid

Structural Information

Molecular Formula
C14H14O2
SMILES
C1=CC=C2C=C(C=CC2=C1)CCCC(=O)O
InChI
InChI=1S/C14H14O2/c15-14(16)7-3-4-11-8-9-12-5-1-2-6-13(12)10-11/h1-2,5-6,8-10H,3-4,7H2,(H,15,16)
InChIKey
HBRVUQIGDLSBCB-UHFFFAOYSA-N
Compound name
4-naphthalen-2-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

175
Patents

214.09938 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10666 146.8
[M+Na]+ 237.08860 154.0
[M-H]- 213.09210 149.8
[M+NH4]+ 232.13320 165.8
[M+K]+ 253.06254 150.1
[M+H-H2O]+ 197.09664 140.6
[M+HCOO]- 259.09758 167.8
[M+CH3COO]- 273.11323 186.4
[M+Na-2H]- 235.07405 153.2
[M]+ 214.09883 147.3
[M]- 214.09993 147.3
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