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]+ 225.15976 153.9
[M+Na]+ 247.14170 158.7
[M-H]- 223.14520 154.1
[M+NH4]+ 242.18630 170.1
[M+K]+ 263.11564 155.9
[M+H-H2O]+ 207.14974 148.0
[M+HCOO]- 269.15068 169.8
[M+CH3COO]- 283.16633 190.1
[M+Na-2H]- 245.12715 155.7
[M]+ 224.15193 148.8
[M]- 224.15303 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.