CID 54386789

2248336-25-4

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C1CCC(CC1)(C2CC2)N

InChI

InChI=1S/C9H17N/c10-9(8-4-5-8)6-2-1-3-7-9/h8H,1-7,10H2

InChIKey

JOTRHVBPLWECJQ-UHFFFAOYSA-N

Compound name

1-cyclopropylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 139.1361 Da
Monoisotopic Mass: 1.7
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]+	140.14338	130.1
[M+Na]+	162.12532	136.4
[M-H]-	138.12882	136.6
[M+NH4]+	157.16992	147.9
[M+K]+	178.09926	135.1
[M+H-H2O]+	122.13336	124.6
[M+HCOO]-	184.13430	150.9
[M+CH3COO]-	198.14995	178.2
[M+Na-2H]-	160.11077	136.3
[M]+	139.13555	125.8
[M]-	139.13665	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe