CID 71683273

Tert-butyl 2-(2-oxocyclopentyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)OC(=O)N1CCCC1C2CCCC2=O
InChI
InChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-9-5-7-11(15)10-6-4-8-12(10)16/h10-11H,4-9H2,1-3H3
InChIKey
BBSUHUUNDMUZAF-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2-oxocyclopentyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17508 162.5
[M+Na]+ 276.15702 167.3
[M-H]- 252.16052 167.3
[M+NH4]+ 271.20162 181.7
[M+K]+ 292.13096 166.2
[M+H-H2O]+ 236.16506 156.7
[M+HCOO]- 298.16600 179.7
[M+CH3COO]- 312.18165 192.2
[M+Na-2H]- 274.14247 160.3
[M]+ 253.16725 160.3
[M]- 253.16835 160.3
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.