CID 3049078

Lcg 21613

Structural Information

Molecular Formula

C₁₁H₂₅N

SMILES

CCCC(CCC)(C(C)C)NC

InChI

InChI=1S/C11H25N/c1-6-8-11(12-5,9-7-2)10(3)4/h10,12H,6-9H2,1-5H3

InChIKey

GCIULAKQSJHLQJ-UHFFFAOYSA-N

Compound name

N-methyl-4-propan-2-ylheptan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 171.1987 Da
Monoisotopic Mass: 3.5
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]+	172.205976	146.1
[M+Na]+	194.187918	150.7
[M-H]-	170.191424	145.9
[M+NH4]+	189.232523	166.6
[M+K]+	210.161858	150.0
[M+H-H2O]+	154.195960	141.3
[M+HCOO]-	216.196901	166.7
[M+CH3COO]-	230.212551	188.4
[M+Na-2H]-	192.173366	150.1
[M]+	171.19815142	147.3
[M]-	171.19924858	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe