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]+ 144.138286 134.2
[M+Na]+ 166.120228 139.8
[M-H]- 142.123734 135.8
[M+NH4]+ 161.164833 156.2
[M+K]+ 182.094168 141.2
[M+H-H2O]+ 126.128270 129.1
[M+HCOO]- 188.129211 157.3
[M+CH3COO]- 202.144861 184.4
[M+Na-2H]- 164.105676 137.2
[M]+ 143.13046142 136.2
[M]- 143.13155858 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