CID 68029260

Octahydropentalen-2-amine hydrochloride

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

C1CC2CC(CC2C1)N

InChI

InChI=1S/C8H15N/c9-8-4-6-2-1-3-7(6)5-8/h6-8H,1-5,9H2

InChIKey

IVXVPIOWIKLBGN-UHFFFAOYSA-N

Compound name

1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 125.12045 Da
Monoisotopic Mass: 1.8
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]+	126.12773	128.2
[M+Na]+	148.10967	134.2
[M-H]-	124.11317	131.7
[M+NH4]+	143.15427	154.3
[M+K]+	164.08361	132.4
[M+H-H2O]+	108.11771	123.4
[M+HCOO]-	170.11865	150.4
[M+CH3COO]-	184.13430	172.6
[M+Na-2H]-	146.09512	130.8
[M]+	125.11990	122.2
[M]-	125.12100	122.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe