CID 11789318

5,5-dimethylpyrrolidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC1(CCC(N1)C(=O)O)C
InChI
InChI=1S/C7H13NO2/c1-7(2)4-3-5(8-7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKey
DEMIRSVUSWJCFT-UHFFFAOYSA-N
Compound name
5,5-dimethylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

143.09464 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 130.9
[M+Na]+ 166.083858 138.0
[M-H]- 142.087364 130.5
[M+NH4]+ 161.128463 153.4
[M+K]+ 182.057798 136.4
[M+H-H2O]+ 126.091900 126.6
[M+HCOO]- 188.092841 149.2
[M+CH3COO]- 202.108491 168.2
[M+Na-2H]- 164.069306 134.1
[M]+ 143.09409142 126.8
[M]- 143.09518858 126.8
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

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