CID 201023

Brn 2360063

Structural Information

Molecular Formula
C13H28N2O
SMILES
CCCC(CCC)C(=O)NCCCN(C)C
InChI
InChI=1S/C13H28N2O/c1-5-8-12(9-6-2)13(16)14-10-7-11-15(3)4/h12H,5-11H2,1-4H3,(H,14,16)
InChIKey
GKILOXQZQVNGNL-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.22017 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.227446 162.5
[M+Na]+ 251.209388 165.2
[M-H]- 227.212894 163.1
[M+NH4]+ 246.253993 180.7
[M+K]+ 267.183328 165.2
[M+H-H2O]+ 211.217430 155.7
[M+HCOO]- 273.218371 184.9
[M+CH3COO]- 287.234021 203.6
[M+Na-2H]- 249.194836 162.8
[M]+ 228.21962142 165.4
[M]- 228.22071858 165.4
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.