CID 83911317

Tert-butyl 3-(3-oxopropyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)CCC=O
InChI
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-7-6-10(9-13)5-4-8-14/h8,10H,4-7,9H2,1-3H3
InChIKey
AFJPIMRMXAQOLV-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-oxopropyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 155.0
[M+Na]+ 250.14137 160.8
[M-H]- 226.14487 156.7
[M+NH4]+ 245.18597 173.9
[M+K]+ 266.11531 160.0
[M+H-H2O]+ 210.14941 149.2
[M+HCOO]- 272.15035 173.6
[M+CH3COO]- 286.16600 188.4
[M+Na-2H]- 248.12682 156.4
[M]+ 227.15160 156.4
[M]- 227.15270 156.4
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.