CID 11380628

328086-60-8

Structural Information

Molecular Formula
C13H22N2O5
SMILES
CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)OC
InChI
InChI=1S/C13H22N2O5/c1-13(2,3)20-12(18)15-9(11(17)19-4)7-8-5-6-14-10(8)16/h8-9H,5-7H2,1-4H3,(H,14,16)(H,15,18)/t8-,9-/m0/s1
InChIKey
HTQMBOWAEPNWLI-IUCAKERBSA-N
Compound name
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

286.15286 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.16014 167.2
[M+Na]+ 309.14208 170.6
[M-H]- 285.14558 167.4
[M+NH4]+ 304.18668 182.1
[M+K]+ 325.11602 170.4
[M+H-H2O]+ 269.15012 161.0
[M+HCOO]- 331.15106 183.6
[M+CH3COO]- 345.16671 198.5
[M+Na-2H]- 307.12753 166.2
[M]+ 286.15231 167.0
[M]- 286.15341 167.0
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