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]+ 229.227446 162.9
[M+Na]+ 251.209388 165.4
[M-H]- 227.212894 163.6
[M+NH4]+ 246.253993 181.1
[M+K]+ 267.183328 166.0
[M+H-H2O]+ 211.217430 156.3
[M+HCOO]- 273.218371 184.4
[M+CH3COO]- 287.234021 204.5
[M+Na-2H]- 249.194836 162.0
[M]+ 228.21962142 165.2
[M]- 228.22071858 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.