CID 236363

4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid

Structural Information

Molecular Formula

C₁₄H₁₈O₂

SMILES

C1CCC2=C(C1)C=CC(=C2)CCCC(=O)O

InChI

InChI=1S/C14H18O2/c15-14(16)7-3-4-11-8-9-12-5-1-2-6-13(12)10-11/h8-10H,1-7H2,(H,15,16)

InChIKey

OMWKQAVCNOUAFO-UHFFFAOYSA-N

Compound name

4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 218.13068 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.137956	149.7
[M+Na]+	241.119898	154.7
[M-H]-	217.123404	151.9
[M+NH4]+	236.164503	168.3
[M+K]+	257.093838	151.3
[M+H-H2O]+	201.127940	143.5
[M+HCOO]-	263.128881	167.7
[M+CH3COO]-	277.144531	187.1
[M+Na-2H]-	239.105346	154.1
[M]+	218.13013142	147.3
[M]-	218.13122858	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe