CID 74176

Diethylaminoacetone

Structural Information

Molecular Formula
C7H15NO
SMILES
CCN(CC)CC(=O)C
InChI
InChI=1S/C7H15NO/c1-4-8(5-2)6-7(3)9/h4-6H2,1-3H3
InChIKey
GDXMMBDEMOUTNS-UHFFFAOYSA-N
Compound name
1-(diethylamino)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

200
Patents

129.11537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 129.2
[M+Na]+ 152.10459 138.7
[M+NH4]+ 147.14919 137.2
[M+K]+ 168.07853 133.7
[M-H]- 128.10809 129.4
[M+Na-2H]- 150.09004 133.1
[M]+ 129.11482 130.4
[M]- 129.11592 130.4
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