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
4
Annotation Hits

7
References

59967
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 138.2
[M+Na]+ 192.09950 144.3
[M-H]- 168.10300 138.5
[M+NH4]+ 187.14410 158.5
[M+K]+ 208.07344 143.7
[M+H-H2O]+ 152.10754 133.7
[M+HCOO]- 214.10848 159.7
[M+CH3COO]- 228.12413 183.5
[M+Na-2H]- 190.08495 142.3
[M]+ 169.10973 138.8
[M]- 169.11083 138.8
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