CID 13466616

Tert-butyl 3-acetoxypyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(=O)OC1CCN(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO4/c1-8(13)15-9-5-6-12(7-9)10(14)16-11(2,3)4/h9H,5-7H2,1-4H3
InChIKey
IISMTBJUCUOJBU-UHFFFAOYSA-N
Compound name
tert-butyl 3-acetyloxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

229.13141 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 152.8
[M+Na]+ 252.12063 158.7
[M-H]- 228.12413 154.7
[M+NH4]+ 247.16523 171.5
[M+K]+ 268.09457 159.2
[M+H-H2O]+ 212.12867 147.2
[M+HCOO]- 274.12961 171.0
[M+CH3COO]- 288.14526 187.7
[M+Na-2H]- 250.10608 153.8
[M]+ 229.13086 154.5
[M]- 229.13196 154.5
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