CID 132010223

1-(2,5-dioxopyrrolidin-1-yl) 12-methyl dodecanedioate

Structural Information

Molecular Formula
C17H27NO6
SMILES
COC(=O)CCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C17H27NO6/c1-23-16(21)10-8-6-4-2-3-5-7-9-11-17(22)24-18-14(19)12-13-15(18)20/h2-13H2,1H3
InChIKey
OZGOOUYPVYJHDF-UHFFFAOYSA-N
Compound name
12-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl dodecanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

341.18384 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.19112 181.2
[M+Na]+ 364.17306 185.1
[M-H]- 340.17656 181.9
[M+NH4]+ 359.21766 194.9
[M+K]+ 380.14700 183.6
[M+H-H2O]+ 324.18110 173.8
[M+HCOO]- 386.18204 199.7
[M+CH3COO]- 400.19769 210.3
[M+Na-2H]- 362.15851 177.9
[M]+ 341.18329 187.6
[M]- 341.18439 187.6
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

patents stripe