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]+ 286.107376 163.8
[M+Na]+ 308.089318 170.2
[M-H]- 284.092824 167.5
[M+NH4]+ 303.133923 179.2
[M+K]+ 324.063258 166.2
[M+H-H2O]+ 268.097360 156.8
[M+HCOO]- 330.098301 180.0
[M+CH3COO]- 344.113951 195.4
[M+Na-2H]- 306.074766 164.1
[M]+ 285.09955142 161.3
[M]- 285.10064858 161.3
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.