CID 45791006

{spiro[2.5]octan-1-yl}methanamine hydrochloride

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C1CCC2(CC1)CC2CN

InChI

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

InChIKey

FTLWLXATYUQMKU-UHFFFAOYSA-N

Compound name

spiro[2.5]octan-2-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 139.1361 Da
Monoisotopic Mass: 2.3
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	130.8
[M+Na]+	162.12532	137.7
[M-H]-	138.12882	136.4
[M+NH4]+	157.16992	149.2
[M+K]+	178.09926	136.1
[M+H-H2O]+	122.13336	125.5
[M+HCOO]-	184.13430	151.5
[M+CH3COO]-	198.14995	178.5
[M+Na-2H]-	160.11077	137.4
[M]+	139.13555	127.2
[M]-	139.13665	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe