CID 139022722

1947316-45-1

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)OC(=O)N1CCCC1C2CCC(=O)C2
InChI
InChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-8-4-5-12(15)10-6-7-11(16)9-10/h10,12H,4-9H2,1-3H3
InChIKey
NQQWKZUZIHUCFX-UHFFFAOYSA-N
Compound name
tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 162.5
[M+Na]+ 276.157018 167.3
[M-H]- 252.160524 167.3
[M+NH4]+ 271.201623 181.7
[M+K]+ 292.130958 166.2
[M+H-H2O]+ 236.165060 156.7
[M+HCOO]- 298.166001 179.7
[M+CH3COO]- 312.181651 192.2
[M+Na-2H]- 274.142466 160.3
[M]+ 253.16725142 160.3
[M]- 253.16834858 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

literature stripe

Patent stripe

No patent data available for this compound.