CID 28948804

4-[methyl(propan-2-yl)amino]butan-2-one

Structural Information

Molecular Formula
C8H17NO
SMILES
CC(C)N(C)CCC(=O)C
InChI
InChI=1S/C8H17NO/c1-7(2)9(4)6-5-8(3)10/h7H,5-6H2,1-4H3
InChIKey
JRSKFKZAKLAAMS-UHFFFAOYSA-N
Compound name
4-[methyl(propan-2-yl)amino]butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

143.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 133.9
[M+Na]+ 166.12023 142.9
[M+NH4]+ 161.16483 141.7
[M+K]+ 182.09417 138.5
[M-H]- 142.12373 133.9
[M+Na-2H]- 164.10568 137.2
[M]+ 143.13046 134.9
[M]- 143.13156 134.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe