CID 44695

63765-93-5

Structural Information

Molecular Formula

C₉H₂₁N

SMILES

CCCC(CCC)C(C)N

InChI

InChI=1S/C9H21N/c1-4-6-9(7-5-2)8(3)10/h8-9H,4-7,10H2,1-3H3

InChIKey

NQSPPNBXGFXJHQ-UHFFFAOYSA-N

Compound name

3-propylhexan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 143.1674 Da
Monoisotopic Mass: 2.8
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]+	144.174676	138.5
[M+Na]+	166.156618	143.2
[M-H]-	142.160124	137.9
[M+NH4]+	161.201223	159.7
[M+K]+	182.130558	142.8
[M+H-H2O]+	126.164660	133.4
[M+HCOO]-	188.165601	159.7
[M+CH3COO]-	202.181251	182.1
[M+Na-2H]-	164.142066	140.5
[M]+	143.16685142	137.8
[M]-	143.16794858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe