CID 41705

2-methyl-4-propyl-4-heptanamine hydrochloride

Structural Information

Molecular Formula

C₁₁H₂₅N

SMILES

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

InChI

InChI=1S/C11H25N/c1-5-7-11(12,8-6-2)9-10(3)4/h10H,5-9,12H2,1-4H3

InChIKey

WISDSBVHMSLSCP-UHFFFAOYSA-N

Compound name

2-methyl-4-propylheptan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 171.1987 Da
Monoisotopic Mass: 3.4
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]+	172.20598	146.6
[M+Na]+	194.18792	151.2
[M-H]-	170.19142	145.8
[M+NH4]+	189.23252	166.8
[M+K]+	210.16186	150.1
[M+H-H2O]+	154.19596	141.8
[M+HCOO]-	216.19690	166.6
[M+CH3COO]-	230.21255	187.7
[M+Na-2H]-	192.17337	149.5
[M]+	171.19815	146.8
[M]-	171.19925	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe