CID 6448053

2-propenoic acid, 3-(2,5-dimethyl-4-oxo-1-piperidinyl)-, methyl ester, (1(e),2-alpha,5-beta)-

Structural Information

Molecular Formula
C11H17NO3
SMILES
C[C@@H]1CC(=O)[C@H](CN1/C=C/C(=O)OC)C
InChI
InChI=1S/C11H17NO3/c1-8-7-12(5-4-11(14)15-3)9(2)6-10(8)13/h4-5,8-9H,6-7H2,1-3H3/b5-4+/t8-,9+/m0/s1
InChIKey
FTNPWSSFPCXOAS-HYNBTVFTSA-N
Compound name
methyl (E)-3-[(2R,5S)-2,5-dimethyl-4-oxopiperidin-1-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.12085 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 146.5
[M+Na]+ 234.110068 153.5
[M-H]- 210.113574 148.4
[M+NH4]+ 229.154673 164.4
[M+K]+ 250.084008 152.0
[M+H-H2O]+ 194.118110 140.4
[M+HCOO]- 256.119051 165.0
[M+CH3COO]- 270.134701 187.7
[M+Na-2H]- 232.095516 147.6
[M]+ 211.12030142 146.0
[M]- 211.12139858 146.0
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.