CID 41701

Diprobutine

Structural Information

Molecular Formula

C₁₀H₂₃N

SMILES

CCCC(CCC)(CCC)N

InChI

InChI=1S/C10H23N/c1-4-7-10(11,8-5-2)9-6-3/h4-9,11H2,1-3H3

InChIKey

VQIAWQKBOAUGHE-UHFFFAOYSA-N

Compound name

4-propylheptan-4-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 417
Patents: 157.18304 Da
Monoisotopic Mass: 2.9
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]+	158.190316	141.7
[M+Na]+	180.172258	146.9
[M-H]-	156.175764	141.0
[M+NH4]+	175.216863	162.6
[M+K]+	196.146198	145.7
[M+H-H2O]+	140.180300	137.0
[M+HCOO]-	202.181241	163.0
[M+CH3COO]-	216.196891	183.8
[M+Na-2H]-	178.157706	146.4
[M]+	157.18249142	142.2
[M]-	157.18358858	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe