CID 13077

1-naphthalenebutanoic acid

Structural Information

Molecular Formula
C14H14O2
SMILES
C1=CC=C2C(=C1)C=CC=C2CCCC(=O)O
InChI
InChI=1S/C14H14O2/c15-14(16)10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-3,5-7,9H,4,8,10H2,(H,15,16)
InChIKey
LZVCOUNJXYIOQA-UHFFFAOYSA-N
Compound name
4-naphthalen-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

159
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