CID 122163974

[1-(but-3-en-1-yl)cyclopentyl]methanamine

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

C=CCCC1(CCCC1)CN

InChI

InChI=1S/C10H19N/c1-2-3-6-10(9-11)7-4-5-8-10/h2H,1,3-9,11H2

InChIKey

FJKYMFUJIHCDSO-UHFFFAOYSA-N

Compound name

(1-but-3-enylcyclopentyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.15175 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]+	154.15903	137.2
[M+Na]+	176.14097	142.3
[M-H]-	152.14447	139.5
[M+NH4]+	171.18557	161.3
[M+K]+	192.11491	139.9
[M+H-H2O]+	136.14901	132.2
[M+HCOO]-	198.14995	159.7
[M+CH3COO]-	212.16560	178.1
[M+Na-2H]-	174.12642	141.0
[M]+	153.15120	133.0
[M]-	153.15230	133.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.