CID 6435766

Brn 5591642

Structural Information

Molecular Formula
C16H25NO5
SMILES
CCOC(=O)/C=C(/C(=O)OCC)\N1CC(C(=O)CC1(C)C)C
InChI
InChI=1S/C16H25NO5/c1-6-21-14(19)8-12(15(20)22-7-2)17-10-11(3)13(18)9-16(17,4)5/h8,11H,6-7,9-10H2,1-5H3/b12-8-
InChIKey
WGCVXHHYFUDLIP-WQLSENKSSA-N
Compound name
diethyl (Z)-2-(2,2,5-trimethyl-4-oxopiperidin-1-yl)but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.17328 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.18056 173.6
[M+Na]+ 334.16250 181.2
[M+NH4]+ 329.20710 178.7
[M+K]+ 350.13644 176.1
[M-H]- 310.16600 171.2
[M+Na-2H]- 332.14795 174.7
[M]+ 311.17273 173.6
[M]- 311.17383 173.6
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

No patent data available for this compound.