CID 82418841

2044713-87-1

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

C1CC(C2(C1)CC2)CN

InChI

InChI=1S/C8H15N/c9-6-7-2-1-3-8(7)4-5-8/h7H,1-6,9H2

InChIKey

XOVRPPMULXURNU-UHFFFAOYSA-N

Compound name

spiro[2.4]heptan-7-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 125.12045 Da
Monoisotopic Mass: 1.7
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	125.5
[M+Na]+	148.10967	133.8
[M-H]-	124.11317	131.5
[M+NH4]+	143.15427	146.1
[M+K]+	164.08361	131.8
[M+H-H2O]+	108.11771	120.7
[M+HCOO]-	170.11865	148.3
[M+CH3COO]-	184.13430	175.4
[M+Na-2H]-	146.09512	131.5
[M]+	125.11990	123.5
[M]-	125.12100	123.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.