CID 14041208

(s)-(-)-1-boc-3-acetamidopyrrolidine

Structural Information

Molecular Formula
C11H20N2O3
SMILES
CC(=O)N[C@H]1CCN(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H20N2O3/c1-8(14)12-9-5-6-13(7-9)10(15)16-11(2,3)4/h9H,5-7H2,1-4H3,(H,12,14)/t9-/m0/s1
InChIKey
SLFZPSKIMUPQSR-VIFPVBQESA-N
Compound name
tert-butyl (3S)-3-acetamidopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

228.1474 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.15468 154.4
[M+Na]+ 251.13662 159.4
[M-H]- 227.14012 156.3
[M+NH4]+ 246.18122 172.8
[M+K]+ 267.11056 159.4
[M+H-H2O]+ 211.14466 148.4
[M+HCOO]- 273.14560 173.4
[M+CH3COO]- 287.16125 190.5
[M+Na-2H]- 249.12207 155.6
[M]+ 228.14685 153.8
[M]- 228.14795 153.8
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

patents stripe