CID 84883

(dimethylamino)acetone

Structural Information

Molecular Formula
C5H11NO
SMILES
CC(=O)CN(C)C
InChI
InChI=1S/C5H11NO/c1-5(7)4-6(2)3/h4H2,1-3H3
InChIKey
VFPKIWATTACVJR-UHFFFAOYSA-N
Compound name
1-(dimethylamino)propan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1195
Patents

101.08406 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.091336 119.8
[M+Na]+ 124.073278 126.9
[M-H]- 100.076784 121.9
[M+NH4]+ 119.117883 143.5
[M+K]+ 140.047218 128.7
[M+H-H2O]+ 84.081320 115.2
[M+HCOO]- 146.082261 144.9
[M+CH3COO]- 160.097911 174.4
[M+Na-2H]- 122.058726 125.7
[M]+ 101.08351142 121.3
[M]- 101.08460858 121.3
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