CID 121582260

N-[(2s,3r)-2-tert-butyl-6-oxopiperidin-3-yl]prop-2-enamide

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CC(C)(C)[C@H]1[C@@H](CCC(=O)N1)NC(=O)C=C
InChI
InChI=1S/C12H20N2O2/c1-5-9(15)13-8-6-7-10(16)14-11(8)12(2,3)4/h5,8,11H,1,6-7H2,2-4H3,(H,13,15)(H,14,16)/t8-,11-/m1/s1
InChIKey
HERSNSNOLHDTQT-LDYMZIIASA-N
Compound name
N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15248 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.159756 153.9
[M+Na]+ 247.141698 158.7
[M-H]- 223.145204 154.1
[M+NH4]+ 242.186303 170.1
[M+K]+ 263.115638 155.9
[M+H-H2O]+ 207.149740 148.0
[M+HCOO]- 269.150681 169.8
[M+CH3COO]- 283.166331 190.1
[M+Na-2H]- 245.127146 155.7
[M]+ 224.15193142 148.8
[M]- 224.15302858 148.8
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.