CID 16213040

(r)-(+)-n-[1-(1-naphthyl)ethyl]succinamic acid

Structural Information

Molecular Formula
C16H17NO3
SMILES
C[C@H](C1=CC=CC2=CC=CC=C21)NC(=O)CCC(=O)O
InChI
InChI=1S/C16H17NO3/c1-11(17-15(18)9-10-16(19)20)13-8-4-6-12-5-2-3-7-14(12)13/h2-8,11H,9-10H2,1H3,(H,17,18)(H,19,20)/t11-/m1/s1
InChIKey
AUSXHLAOQYCBAR-LLVKDONJSA-N
Compound name
4-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

271.12085 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.128126 162.3
[M+Na]+ 294.110068 167.2
[M-H]- 270.113574 164.9
[M+NH4]+ 289.154673 178.2
[M+K]+ 310.084008 164.1
[M+H-H2O]+ 254.118110 155.4
[M+HCOO]- 316.119051 181.9
[M+CH3COO]- 330.134701 199.9
[M+Na-2H]- 292.095516 165.6
[M]+ 271.12030142 162.2
[M]- 271.12139858 162.2
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.