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]+ 290.17508 169.1
[M+Na]+ 312.15702 171.6
[M-H]- 288.16052 170.7
[M+NH4]+ 307.20162 184.1
[M+K]+ 328.13096 168.6
[M+H-H2O]+ 272.16506 162.1
[M+HCOO]- 334.16600 185.4
[M+CH3COO]- 348.18165 203.6
[M+Na-2H]- 310.14247 170.0
[M]+ 289.16725 166.5
[M]- 289.16835 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.