CID 75454501

Tert-butyl 2-(4-oxooxan-3-yl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N1CCCC1C2COCCC2=O
InChI
InChI=1S/C14H23NO4/c1-14(2,3)19-13(17)15-7-4-5-11(15)10-9-18-8-6-12(10)16/h10-11H,4-9H2,1-3H3
InChIKey
GWBDNYAXVBJQBJ-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-oxooxan-3-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16272 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 163.0
[M+Na]+ 292.15194 170.6
[M+NH4]+ 287.19654 168.9
[M+K]+ 308.12588 169.3
[M-H]- 268.15544 164.3
[M+Na-2H]- 290.13739 164.5
[M]+ 269.16217 164.0
[M]- 269.16327 164.0
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

No patent data available for this compound.