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]+ 270.169996 163.4
[M+Na]+ 292.151938 167.4
[M-H]- 268.155444 168.4
[M+NH4]+ 287.196543 178.8
[M+K]+ 308.125878 167.6
[M+H-H2O]+ 252.159980 157.0
[M+HCOO]- 314.160921 177.8
[M+CH3COO]- 328.176571 194.6
[M+Na-2H]- 290.137386 163.6
[M]+ 269.16217142 161.1
[M]- 269.16326858 161.1
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.