CID 145899350

Rac-(2r,3s,4r)-1-[(tert-butoxy)carbonyl]-3,4-dihydroxypyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C10H17NO6
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@H]([C@@H]1C(=O)O)O)O
InChI
InChI=1S/C10H17NO6/c1-10(2,3)17-9(16)11-4-5(12)7(13)6(11)8(14)15/h5-7,12-13H,4H2,1-3H3,(H,14,15)/t5-,6-,7-/m1/s1
InChIKey
AARRUZFEEXNGES-FSDSQADBSA-N
Compound name
(2R,3S,4R)-3,4-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.10559 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11287 153.4
[M+Na]+ 270.09481 159.7
[M-H]- 246.09831 151.9
[M+NH4]+ 265.13941 169.4
[M+K]+ 286.06875 159.2
[M+H-H2O]+ 230.10285 149.0
[M+HCOO]- 292.10379 167.7
[M+CH3COO]- 306.11944 185.1
[M+Na-2H]- 268.08026 152.6
[M]+ 247.10504 152.8
[M]- 247.10614 152.8
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.