CID 234480

6278-76-8

Structural Information

Molecular Formula
C13H17NO4
SMILES
CC1CCC(=O)C(C1)C(=O)CC2CC(=O)NC2=O
InChI
InChI=1S/C13H17NO4/c1-7-2-3-10(15)9(4-7)11(16)5-8-6-12(17)14-13(8)18/h7-9H,2-6H2,1H3,(H,14,17,18)
InChIKey
UTGHRSAEFPGUFV-UHFFFAOYSA-N
Compound name
3-[2-(5-methyl-2-oxocyclohexyl)-2-oxoethyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.11575 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 156.3
[M+Na]+ 274.10497 161.9
[M-H]- 250.10847 159.7
[M+NH4]+ 269.14957 172.9
[M+K]+ 290.07891 158.8
[M+H-H2O]+ 234.11301 150.0
[M+HCOO]- 296.11395 172.2
[M+CH3COO]- 310.12960 191.6
[M+Na-2H]- 272.09042 153.4
[M]+ 251.11520 151.2
[M]- 251.11630 151.2
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.