CID 448301

Stachydrine

Structural Information

Molecular Formula

C₇H₁₄NO₂

SMILES

C[N+]1(CCC[C@H]1C(=O)O)C

InChI

InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m0/s1

InChIKey

CMUNUTVVOOHQPW-LURJTMIESA-O

Compound name

(2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 164
References: 2268
Patents: 144.10245 Da
Monoisotopic Mass: 0.4
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]+	145.10973	129.1
[M+Na]+	167.09167	140.3
[M+NH4]+	162.13627	139.3
[M+K]+	183.06561	136.4
[M-H]-	143.09517	130.4
[M+Na-2H]-	165.07712	134.8
[M]+	144.10190	131.2
[M]-	144.10300	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe