CID 17888

Diacetone acrylamide

Structural Information

Molecular Formula
C9H15NO2
SMILES
CC(=O)CC(C)(C)NC(=O)C=C
InChI
InChI=1S/C9H15NO2/c1-5-8(12)10-9(3,4)6-7(2)11/h5H,1,6H2,2-4H3,(H,10,12)
InChIKey
OMNKZBIFPJNNIO-UHFFFAOYSA-N
Compound name
N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

56291
Patents

169.11028 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 139.7
[M+Na]+ 192.09950 147.6
[M+NH4]+ 187.14410 145.7
[M+K]+ 208.07344 144.0
[M-H]- 168.10300 137.6
[M+Na-2H]- 190.08495 141.6
[M]+ 169.10973 139.8
[M]- 169.11083 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe