CID 21900759

3-pentanamine, n-(1-ethylpropyl)-

Structural Information

Molecular Formula

C₁₀H₂₃N

SMILES

CCC(CC)NC(CC)CC

InChI

InChI=1S/C10H23N/c1-5-9(6-2)11-10(7-3)8-4/h9-11H,5-8H2,1-4H3

InChIKey

CRBACSXYCMQSAH-UHFFFAOYSA-N

Compound name

N-pentan-3-ylpentan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 797
Patents: 157.18304 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]+	158.190316	142.7
[M+Na]+	180.172258	146.9
[M-H]-	156.175764	142.4
[M+NH4]+	175.216863	163.5
[M+K]+	196.146198	146.6
[M+H-H2O]+	140.180300	137.4
[M+HCOO]-	202.181241	164.1
[M+CH3COO]-	216.196891	185.9
[M+Na-2H]-	178.157706	145.2
[M]+	157.18249142	143.3
[M]-	157.18358858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe