CID 155970399

2383930-09-2

Structural Information

Molecular Formula
C15H25NO3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C2CCC(=O)CC2
InChI
InChI=1S/C15H25NO3/c1-15(2,3)19-14(18)16-9-8-12(10-16)11-4-6-13(17)7-5-11/h11-12H,4-10H2,1-3H3
InChIKey
WKDHETJPYYKCOT-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4-oxocyclohexyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.18344 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.19072 165.7
[M+Na]+ 290.17266 169.2
[M-H]- 266.17616 169.8
[M+NH4]+ 285.21726 182.5
[M+K]+ 306.14660 167.7
[M+H-H2O]+ 250.18070 159.0
[M+HCOO]- 312.18164 180.4
[M+CH3COO]- 326.19729 195.4
[M+Na-2H]- 288.15811 164.3
[M]+ 267.18289 161.6
[M]- 267.18399 161.6
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.