CID 125175

(2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate

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

46720
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 174.1
[M+Na]+ 357.10572 179.4
[M-H]- 333.10922 180.9
[M+NH4]+ 352.15032 187.8
[M+K]+ 373.07966 177.1
[M+H-H2O]+ 317.11376 166.3
[M+HCOO]- 379.11470 190.4
[M+CH3COO]- 393.13035 206.7
[M+Na-2H]- 355.09117 168.5
[M]+ 334.11595 171.7
[M]- 334.11705 171.7
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