CID 16641378

4-oxo-4-{[1-(5,6,7,8-tetrahydro-2-naphthalenyl)propyl]amino}butanoic acid

Structural Information

Molecular Formula
C17H23NO3
SMILES
CCC(C1=CC2=C(CCCC2)C=C1)NC(=O)CCC(=O)O
InChI
InChI=1S/C17H23NO3/c1-2-15(18-16(19)9-10-17(20)21)14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11,15H,2-6,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKey
XVVLHZFBRNTYJW-UHFFFAOYSA-N
Compound name
4-oxo-4-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1678 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.175076 169.1
[M+Na]+ 312.157018 171.6
[M-H]- 288.160524 170.7
[M+NH4]+ 307.201623 184.1
[M+K]+ 328.130958 168.6
[M+H-H2O]+ 272.165060 162.1
[M+HCOO]- 334.166001 185.4
[M+CH3COO]- 348.181651 203.6
[M+Na-2H]- 310.142466 170.0
[M]+ 289.16725142 166.5
[M]- 289.16834858 166.5
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

No patent data available for this compound.