CID 20114456

N-cyclopropylcyclohexanamine hydrochloride

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C1CCC(CC1)NC2CC2

InChI

InChI=1S/C9H17N/c1-2-4-8(5-3-1)10-9-6-7-9/h8-10H,1-7H2

InChIKey

MCQSVVAOVRESQK-UHFFFAOYSA-N

Compound name

N-cyclopropylcyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 133
Patents: 139.1361 Da
Monoisotopic Mass: 2.2
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]+	140.143376	128.8
[M+Na]+	162.125318	134.3
[M-H]-	138.128824	135.4
[M+NH4]+	157.169923	145.0
[M+K]+	178.099258	132.6
[M+H-H2O]+	122.133360	122.2
[M+HCOO]-	184.134301	150.7
[M+CH3COO]-	198.149951	179.4
[M+Na-2H]-	160.110766	135.1
[M]+	139.13555142	125.1
[M]-	139.13664858	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe