CID 16226845

1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C17H17NO3
SMILES
C1CC(CN(C1)C(=O)C2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C17H17NO3/c19-16(18-10-4-7-13(11-18)17(20)21)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,20,21)
InChIKey
RGSKNHMJQAGCOC-UHFFFAOYSA-N
Compound name
1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4
Patents

283.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 164.5
[M+Na]+ 306.11007 169.2
[M-H]- 282.11357 168.3
[M+NH4]+ 301.15467 178.4
[M+K]+ 322.08401 165.1
[M+H-H2O]+ 266.11811 156.0
[M+HCOO]- 328.11905 179.3
[M+CH3COO]- 342.13470 198.0
[M+Na-2H]- 304.09552 167.0
[M]+ 283.12030 159.9
[M]- 283.12140 159.9
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