CID 60272

2-(diethylamino)-n-tert-pentylbutyramide hydrochloride

Structural Information

Molecular Formula
C13H28N2O
SMILES
CCC(C(=O)NC(C)(C)CC)N(CC)CC
InChI
InChI=1S/C13H28N2O/c1-7-11(15(9-3)10-4)12(16)14-13(5,6)8-2/h11H,7-10H2,1-6H3,(H,14,16)
InChIKey
NMZWPTXSHRQEEQ-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(2-methylbutan-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

228.22017 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.22745 161.0
[M+Na]+ 251.20939 164.2
[M-H]- 227.21289 161.9
[M+NH4]+ 246.25399 179.4
[M+K]+ 267.18333 164.7
[M+H-H2O]+ 211.21743 155.0
[M+HCOO]- 273.21837 181.9
[M+CH3COO]- 287.23402 204.0
[M+Na-2H]- 249.19484 162.2
[M]+ 228.21962 163.4
[M]- 228.22072 163.4
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.