CID 65001978

2413883-33-5

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C1CCC2(C1)CC(C2)CN

InChI

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

InChIKey

RVPGSXOWEVLTCF-UHFFFAOYSA-N

Compound name

spiro[3.4]octan-2-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 139.1361 Da
Monoisotopic Mass: 2.1
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	129.3
[M+Na]+	162.12532	133.6
[M-H]-	138.12882	134.1
[M+NH4]+	157.16992	147.8
[M+K]+	178.09926	134.5
[M+H-H2O]+	122.13336	119.9
[M+HCOO]-	184.13430	150.3
[M+CH3COO]-	198.14995	177.9
[M+Na-2H]-	160.11077	133.9
[M]+	139.13555	132.2
[M]-	139.13665	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe