CID 3704098

3,7-dimethyl-6-octenamide

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

CC(CCC=C(C)C)CC(=O)N

InChI

InChI=1S/C10H19NO/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H2,11,12)

InChIKey

PUGXASHPRMOMNU-UHFFFAOYSA-N

Compound name

3,7-dimethyloct-6-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 169.14667 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	170.15395	143.6
[M+Na]+	192.13589	148.3
[M-H]-	168.13939	142.9
[M+NH4]+	187.18049	163.5
[M+K]+	208.10983	147.3
[M+H-H2O]+	152.14393	138.4
[M+HCOO]-	214.14487	164.1
[M+CH3COO]-	228.16052	185.4
[M+Na-2H]-	190.12134	143.8
[M]+	169.14612	142.5
[M]-	169.14722	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe