CID 107883

Dihydrokainic acid

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC(C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O
InChI
InChI=1S/C10H17NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h5-7,9,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
InChIKey
JQPDCKOQOOQUSC-OOZYFLPDSA-N
Compound name
(2S,3S,4R)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

204
References

273
Patents

215.11575 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 149.9
[M+Na]+ 238.10497 154.7
[M-H]- 214.10847 147.7
[M+NH4]+ 233.14957 166.6
[M+K]+ 254.07891 152.9
[M+H-H2O]+ 198.11301 144.5
[M+HCOO]- 260.11395 164.2
[M+CH3COO]- 274.12960 181.8
[M+Na-2H]- 236.09042 146.8
[M]+ 215.11520 146.0
[M]- 215.11630 146.0
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.