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]+ 202.143766 146.6
[M+Na]+ 224.125708 153.2
[M-H]- 200.129214 147.4
[M+NH4]+ 219.170313 166.0
[M+K]+ 240.099648 152.6
[M+H-H2O]+ 184.133750 141.6
[M+HCOO]- 246.134691 164.1
[M+CH3COO]- 260.150341 183.2
[M+Na-2H]- 222.111156 147.9
[M]+ 201.13594142 146.5
[M]- 201.13703858 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.