CID 24706731

1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C16H15NO4
SMILES
C1CC(N(C1)C(=O)C2=C(C3=CC=CC=C3C=C2)O)C(=O)O
InChI
InChI=1S/C16H15NO4/c18-14-11-5-2-1-4-10(11)7-8-12(14)15(19)17-9-3-6-13(17)16(20)21/h1-2,4-5,7-8,13,18H,3,6,9H2,(H,20,21)
InChIKey
OYXLCGYTAOPEJQ-UHFFFAOYSA-N
Compound name
1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1001 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10738 164.5
[M+Na]+ 308.08932 175.3
[M+NH4]+ 303.13392 171.0
[M+K]+ 324.06326 172.5
[M-H]- 284.09282 165.8
[M+Na-2H]- 306.07477 168.4
[M]+ 285.09955 166.0
[M]- 285.10065 166.0
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.