CID 104444

53214-41-8

Structural Information

Molecular Formula

C₁₀H₂₃N

SMILES

CCCC(CCC)CNCC

InChI

InChI=1S/C10H23N/c1-4-7-10(8-5-2)9-11-6-3/h10-11H,4-9H2,1-3H3

InChIKey

NLYAMAYWIKBJTB-UHFFFAOYSA-N

Compound name

N-ethyl-2-propylpentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 157.18304 Da
Monoisotopic Mass: 3.3
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	142.1
[M+Na]+	180.17226	146.5
[M-H]-	156.17576	141.7
[M+NH4]+	175.21686	163.0
[M+K]+	196.14620	145.7
[M+H-H2O]+	140.18030	136.7
[M+HCOO]-	202.18124	164.5
[M+CH3COO]-	216.19689	185.0
[M+Na-2H]-	178.15771	145.9
[M]+	157.18249	143.4
[M]-	157.18359	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe