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]+ 215.21179 156.4
[M+Na]+ 237.19373 160.1
[M-H]- 213.19723 157.4
[M+NH4]+ 232.23833 175.4
[M+K]+ 253.16767 160.4
[M+H-H2O]+ 197.20177 150.5
[M+HCOO]- 259.20271 178.6
[M+CH3COO]- 273.21836 200.1
[M+Na-2H]- 235.17918 159.3
[M]+ 214.20396 159.1
[M]- 214.20506 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.