CID 86280223

877069-25-5

Structural Information

Molecular Formula
C17H27NO6
SMILES
CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)O)O)C(=O)OC2CCCC2
InChI
InChI=1S/C17H27NO6/c1-17(2,3)13(16(23)24-11-6-4-5-7-11)14(20)18-9-10(19)8-12(18)15(21)22/h10-13,19H,4-9H2,1-3H3,(H,21,22)/t10-,12+,13+/m1/s1
InChIKey
SDOGPIGJXDYBIY-WXHSDQCUSA-N
Compound name
(2S,4R)-1-[(2S)-2-cyclopentyloxycarbonyl-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.18384 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.19112 181.3
[M+Na]+ 364.17306 182.7
[M-H]- 340.17656 183.1
[M+NH4]+ 359.21766 194.9
[M+K]+ 380.14700 182.4
[M+H-H2O]+ 324.18110 176.1
[M+HCOO]- 386.18204 192.3
[M+CH3COO]- 400.19769 204.8
[M+Na-2H]- 362.15851 174.6
[M]+ 341.18329 178.3
[M]- 341.18439 178.3
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.