CID 544651

102653-37-2

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

CCCC1CCC(CC1)N

InChI

InChI=1S/C9H19N/c1-2-3-8-4-6-9(10)7-5-8/h8-9H,2-7,10H2,1H3

InChIKey

OZUBMBIDHPBIDL-UHFFFAOYSA-N

Compound name

4-propylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1944
Patents: 141.15175 Da
Monoisotopic Mass: 2.4
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]+	142.15903	133.8
[M+Na]+	164.14097	138.1
[M-H]-	140.14447	136.0
[M+NH4]+	159.18557	154.9
[M+K]+	180.11491	136.6
[M+H-H2O]+	124.14901	128.2
[M+HCOO]-	186.14995	154.3
[M+CH3COO]-	200.16560	177.7
[M+Na-2H]-	162.12642	137.5
[M]+	141.15120	127.9
[M]-	141.15230	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe