CID 41711

4-ethyl-2-methyl-4-heptanamine hydrochloride

Structural Information

Molecular Formula

C₁₀H₂₃N

SMILES

CCCC(CC)(CC(C)C)N

InChI

InChI=1S/C10H23N/c1-5-7-10(11,6-2)8-9(3)4/h9H,5-8,11H2,1-4H3

InChIKey

PHLYZNFKBHVJSC-UHFFFAOYSA-N

Compound name

4-ethyl-2-methylheptan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 157.18304 Da
Monoisotopic Mass: 3.0
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]+	158.19032	142.0
[M+Na]+	180.17226	146.9
[M-H]-	156.17576	141.4
[M+NH4]+	175.21686	162.8
[M+K]+	196.14620	146.1
[M+H-H2O]+	140.18030	137.3
[M+HCOO]-	202.18124	162.3
[M+CH3COO]-	216.19689	184.6
[M+Na-2H]-	178.15771	145.4
[M]+	157.18249	141.8
[M]-	157.18359	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe