CID 3071431

N-(dimethylaminomethyl)valnoctamide hydrochloride

Structural Information

Molecular Formula
C11H24N2O
SMILES
CCC(C)C(CC)C(=O)NCN(C)C
InChI
InChI=1S/C11H24N2O/c1-6-9(3)10(7-2)11(14)12-8-13(4)5/h9-10H,6-8H2,1-5H3,(H,12,14)
InChIKey
OXRIIRWRWSBWBZ-UHFFFAOYSA-N
Compound name
N-[(dimethylamino)methyl]-2-ethyl-3-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.18886 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.196136 153.6
[M+Na]+ 223.178078 156.9
[M-H]- 199.181584 154.7
[M+NH4]+ 218.222683 172.9
[M+K]+ 239.152018 158.0
[M+H-H2O]+ 183.186120 147.4
[M+HCOO]- 245.187061 175.7
[M+CH3COO]- 259.202711 198.5
[M+Na-2H]- 221.163526 153.7
[M]+ 200.18831142 155.1
[M]- 200.18940858 155.1
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.