CID 448301

1,1-dimethyl-prolinium

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

6
Annotation Hits: 165
References: 2586
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	127.9
[M+Na]+	167.09167	135.4
[M-H]-	143.09517	129.2
[M+NH4]+	162.13627	151.1
[M+K]+	183.06561	129.1
[M+H-H2O]+	127.09971	126.4
[M+HCOO]-	189.10065	147.4
[M+CH3COO]-	203.11630	163.8
[M+Na-2H]-	165.07712	134.3
[M]+	144.10190	123.9
[M]-	144.10300	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe