CID 68445245

1824147-66-1

Structural Information

Molecular Formula
C15H25NO6
SMILES
CCOC(=O)C1CN(CC1C(=O)OCC)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H25NO6/c1-6-20-12(17)10-8-16(14(19)22-15(3,4)5)9-11(10)13(18)21-7-2/h10-11H,6-9H2,1-5H3
InChIKey
QVFYELHUZMOHPV-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O,4-O-diethyl pyrrolidine-1,3,4-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

315.16818 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.17546 172.9
[M+Na]+ 338.15740 177.9
[M-H]- 314.16090 174.7
[M+NH4]+ 333.20200 188.2
[M+K]+ 354.13134 178.7
[M+H-H2O]+ 298.16544 167.2
[M+HCOO]- 360.16638 189.5
[M+CH3COO]- 374.18203 204.5
[M+Na-2H]- 336.14285 170.8
[M]+ 315.16763 178.1
[M]- 315.16873 178.1
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