CID 18175320

1-(prop-2-en-1-yl)cyclohexan-1-amine

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C=CCC1(CCCCC1)N

InChI

InChI=1S/C9H17N/c1-2-6-9(10)7-4-3-5-8-9/h2H,1,3-8,10H2

InChIKey

MMTYLLMGHVPBED-UHFFFAOYSA-N

Compound name

1-prop-2-enylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1102
Patents: 139.1361 Da
Monoisotopic Mass: 2.0
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	132.4
[M+Na]+	162.125318	137.1
[M-H]-	138.128824	134.7
[M+NH4]+	157.169923	155.2
[M+K]+	178.099258	135.1
[M+H-H2O]+	122.133360	127.5
[M+HCOO]-	184.134301	153.2
[M+CH3COO]-	198.149951	175.2
[M+Na-2H]-	160.110766	137.9
[M]+	139.13555142	125.8
[M]-	139.13664858	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe