CID 6448053

Trans-n-beta-(2e,5e-dimethyl-4-oxo-1-piperidyl)acrylic acid methyl ester

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]+ 212.12813 146.5
[M+Na]+ 234.11007 153.5
[M-H]- 210.11357 148.4
[M+NH4]+ 229.15467 164.4
[M+K]+ 250.08401 152.0
[M+H-H2O]+ 194.11811 140.4
[M+HCOO]- 256.11905 165.0
[M+CH3COO]- 270.13470 187.7
[M+Na-2H]- 232.09552 147.6
[M]+ 211.12030 146.0
[M]- 211.12140 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.