CID 200617

2351-95-3

Structural Information

Molecular Formula
C17H27NO7
SMILES
CCOC(=O)C1C(C(NC1=O)(C(=O)OCC)C(=O)OCC)CC(C)C
InChI
InChI=1S/C17H27NO7/c1-6-23-14(20)12-11(9-10(4)5)17(18-13(12)19,15(21)24-7-2)16(22)25-8-3/h10-12H,6-9H2,1-5H3,(H,18,19)
InChIKey
KHYYVUUKMPRHDX-UHFFFAOYSA-N
Compound name
triethyl 3-(2-methylpropyl)-5-oxopyrrolidine-2,2,4-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.17874 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.18602 180.0
[M+Na]+ 380.16796 184.7
[M-H]- 356.17146 180.2
[M+NH4]+ 375.21256 194.6
[M+K]+ 396.14190 184.6
[M+H-H2O]+ 340.17600 175.1
[M+HCOO]- 402.17694 195.2
[M+CH3COO]- 416.19259 212.1
[M+Na-2H]- 378.15341 175.5
[M]+ 357.17819 185.5
[M]- 357.17929 185.5
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.