CID 10988429

Tert-butyl 2-(4-oxobutyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)(C)OC(=O)N1CCCC1CCCC=O
InChI
InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-9-6-8-11(14)7-4-5-10-15/h10-11H,4-9H2,1-3H3
InChIKey
RCWONZWAXFPYSU-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-oxobutyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 159.7
[M+Na]+ 264.15702 165.0
[M-H]- 240.16052 161.1
[M+NH4]+ 259.20162 177.9
[M+K]+ 280.13096 164.0
[M+H-H2O]+ 224.16506 153.6
[M+HCOO]- 286.16600 177.9
[M+CH3COO]- 300.18165 191.4
[M+Na-2H]- 262.14247 160.5
[M]+ 241.16725 161.4
[M]- 241.16835 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.