CID 10255

Kainic acid

Structural Information

Molecular Formula

C₁₀H₁₅NO₄

SMILES

CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O

InChI

InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1

InChIKey

VLSMHEGGTFMBBZ-OOZYFLPDSA-N

Compound name

(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 11288
References: 18748
Patents: 213.10011 Da
Monoisotopic Mass: -1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.107386	148.6
[M+Na]+	236.089328	153.7
[M-H]-	212.092834	146.4
[M+NH4]+	231.133933	165.3
[M+K]+	252.063268	151.3
[M+H-H2O]+	196.097370	143.3
[M+HCOO]-	258.098311	163.1
[M+CH3COO]-	272.113961	181.0
[M+Na-2H]-	234.074776	145.6
[M]+	213.09956142	144.0
[M]-	213.10065858	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe