CID 20645922

3,3-dimethylpyrrolidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC1(CCN[C@@H]1C(=O)O)C
InChI
InChI=1S/C7H13NO2/c1-7(2)3-4-8-5(7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-/m1/s1
InChIKey
JQFLYFRHDIHZFZ-RXMQYKEDSA-N
Compound name
(2S)-3,3-dimethylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4924
Patents

143.09464 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 130.9
[M+Na]+ 166.08386 138.0
[M-H]- 142.08736 130.5
[M+NH4]+ 161.12846 153.4
[M+K]+ 182.05780 136.4
[M+H-H2O]+ 126.09190 126.6
[M+HCOO]- 188.09284 149.2
[M+CH3COO]- 202.10849 168.2
[M+Na-2H]- 164.06931 134.1
[M]+ 143.09409 126.8
[M]- 143.09519 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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