CID 167742746

(2s,4r)-4-(tert-butoxy)-1-methylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C10H19NO3
SMILES
CC(C)(C)O[C@@H]1C[C@H](N(C1)C)C(=O)O
InChI
InChI=1S/C10H19NO3/c1-10(2,3)14-7-5-8(9(12)13)11(4)6-7/h7-8H,5-6H2,1-4H3,(H,12,13)/t7-,8+/m1/s1
InChIKey
JYILROAIUKFLKF-SFYZADRCSA-N
Compound name
(2S,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.13649 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.14377 146.3
[M+Na]+ 224.12571 154.1
[M+NH4]+ 219.17031 152.3
[M+K]+ 240.09965 153.0
[M-H]- 200.12921 144.4
[M+Na-2H]- 222.11116 147.6
[M]+ 201.13594 146.4
[M]- 201.13704 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.