CID 546913

4-(dimethylamino)butan-2-one

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(=O)CCN(C)C
InChI
InChI=1S/C6H13NO/c1-6(8)4-5-7(2)3/h4-5H2,1-3H3
InChIKey
WQVAMFRPCWXWSS-UHFFFAOYSA-N
Compound name
4-(dimethylamino)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

328
Patents

115.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 124.8
[M+Na]+ 138.08894 134.5
[M+NH4]+ 133.13354 133.0
[M+K]+ 154.06288 129.7
[M-H]- 114.09244 125.1
[M+Na-2H]- 136.07439 128.9
[M]+ 115.09917 126.0
[M]- 115.10027 126.0
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