CID 69672059

1378388-16-9

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)COC
InChI
InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-8(7-17-4)5-9(13)10(14)15/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m0/s1
InChIKey
OHPUCEUCBHBIAW-IUCAKERBSA-N
Compound name
(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

195
Patents

259.14197 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 159.4
[M+Na]+ 282.13119 165.5
[M+NH4]+ 277.17579 163.5
[M+K]+ 298.10513 165.9
[M-H]- 258.13469 155.9
[M+Na-2H]- 280.11664 158.9
[M]+ 259.14142 158.7
[M]- 259.14252 158.7
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

patents stripe