CID 16278

N,n-dimethylacetoacetamide

Structural Information

Molecular Formula
C6H11NO2
SMILES
CC(=O)CC(=O)N(C)C
InChI
InChI=1S/C6H11NO2/c1-5(8)4-6(9)7(2)3/h4H2,1-3H3
InChIKey
YPEWWOUWRRQBAX-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

3383
Patents

129.07898 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 126.2
[M+Na]+ 152.06820 133.0
[M-H]- 128.07170 128.2
[M+NH4]+ 147.11280 148.6
[M+K]+ 168.04214 134.8
[M+H-H2O]+ 112.07624 121.3
[M+HCOO]- 174.07718 150.5
[M+CH3COO]- 188.09283 178.7
[M+Na-2H]- 150.05365 130.3
[M]+ 129.07843 128.1
[M]- 129.07953 128.1
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