CID 386124

Nsc677756

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC1CCC(=O)C(C1)C(=O)CC2CC(=O)N(C(=O)C2)C
InChI
InChI=1S/C15H21NO4/c1-9-3-4-12(17)11(5-9)13(18)6-10-7-14(19)16(2)15(20)8-10/h9-11H,3-8H2,1-2H3
InChIKey
SGUKJAITBUHBRR-UHFFFAOYSA-N
Compound name
1-methyl-4-[2-(5-methyl-2-oxocyclohexyl)-2-oxoethyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 162.9
[M+Na]+ 302.13628 168.2
[M-H]- 278.13978 167.4
[M+NH4]+ 297.18088 177.5
[M+K]+ 318.11022 165.7
[M+H-H2O]+ 262.14432 155.6
[M+HCOO]- 324.14526 177.5
[M+CH3COO]- 338.16091 202.0
[M+Na-2H]- 300.12173 160.3
[M]+ 279.14651 158.7
[M]- 279.14761 158.7
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.