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

6
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 134.2
[M+Na]+ 166.12023 139.8
[M-H]- 142.12373 135.8
[M+NH4]+ 161.16483 156.2
[M+K]+ 182.09417 141.2
[M+H-H2O]+ 126.12827 129.1
[M+HCOO]- 188.12921 157.3
[M+CH3COO]- 202.14486 184.4
[M+Na-2H]- 164.10568 137.2
[M]+ 143.13046 136.2
[M]- 143.13156 136.2
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