CID 125175

Smcc

Structural Information

Molecular Formula
C16H18N2O6
SMILES
C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)ON3C(=O)CCC3=O
InChI
InChI=1S/C16H18N2O6/c19-12-5-6-13(20)17(12)9-10-1-3-11(4-2-10)16(23)24-18-14(21)7-8-15(18)22/h5-6,10-11H,1-4,7-9H2
InChIKey
JJAHTWIKCUJRDK-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

46046
Patents

334.1165 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12378 177.2
[M+Na]+ 357.10572 184.3
[M+NH4]+ 352.15032 181.1
[M+K]+ 373.07966 184.9
[M-H]- 333.10922 177.2
[M+Na-2H]- 355.09117 178.0
[M]+ 334.11595 177.4
[M]- 334.11705 177.4
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

patents stripe