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
3
Annotation Hits

11288
References

18527
Patents

213.10011 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10739 148.6
[M+Na]+ 236.08933 153.7
[M-H]- 212.09283 146.4
[M+NH4]+ 231.13393 165.3
[M+K]+ 252.06327 151.3
[M+H-H2O]+ 196.09737 143.3
[M+HCOO]- 258.09831 163.1
[M+CH3COO]- 272.11396 181.0
[M+Na-2H]- 234.07478 145.6
[M]+ 213.09956 144.0
[M]- 213.10066 144.0
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