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]+ 230.138686 152.8
[M+Na]+ 252.120628 158.7
[M-H]- 228.124134 154.7
[M+NH4]+ 247.165233 171.5
[M+K]+ 268.094568 159.2
[M+H-H2O]+ 212.128670 147.2
[M+HCOO]- 274.129611 171.0
[M+CH3COO]- 288.145261 187.7
[M+Na-2H]- 250.106076 153.8
[M]+ 229.13086142 154.5
[M]- 229.13195858 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