CID 60236

108302-09-6

Structural Information

Molecular Formula
C12H26N2O
SMILES
CCC(C)(CC)NC(=O)CN(CC)CC
InChI
InChI=1S/C12H26N2O/c1-6-12(5,7-2)13-11(15)10-14(8-3)9-4/h6-10H2,1-5H3,(H,13,15)
InChIKey
SBTAYXXUCKSRKC-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(3-methylpentan-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.20451 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.211786 156.4
[M+Na]+ 237.193728 160.1
[M-H]- 213.197234 157.4
[M+NH4]+ 232.238333 175.4
[M+K]+ 253.167668 160.4
[M+H-H2O]+ 197.201770 150.5
[M+HCOO]- 259.202711 178.6
[M+CH3COO]- 273.218361 200.1
[M+Na-2H]- 235.179176 159.3
[M]+ 214.20396142 159.1
[M]- 214.20505858 159.1
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

No patent data available for this compound.