CID 3071433

N-(diethylaminomethyl)valnoctamide hydrochloride

Structural Information

Molecular Formula
C13H28N2O
SMILES
CCC(C)C(CC)C(=O)NCN(CC)CC
InChI
InChI=1S/C13H28N2O/c1-6-11(5)12(7-2)13(16)14-10-15(8-3)9-4/h11-12H,6-10H2,1-5H3,(H,14,16)
InChIKey
MFGNILHKOOYKQP-UHFFFAOYSA-N
Compound name
N-(diethylaminomethyl)-2-ethyl-3-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.22017 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.22745 162.9
[M+Na]+ 251.20939 165.4
[M-H]- 227.21289 163.6
[M+NH4]+ 246.25399 181.1
[M+K]+ 267.18333 166.0
[M+H-H2O]+ 211.21743 156.3
[M+HCOO]- 273.21837 184.4
[M+CH3COO]- 287.23402 204.5
[M+Na-2H]- 249.19484 162.0
[M]+ 228.21962 165.2
[M]- 228.22072 165.2
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

No patent data available for this compound.