CID 148284510

2731014-40-5

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

CCC1CNC12CCC2

InChI

InChI=1S/C8H15N/c1-2-7-6-9-8(7)4-3-5-8/h7,9H,2-6H2,1H3

InChIKey

KWAWVXMEALEDHP-UHFFFAOYSA-N

Compound name

3-ethyl-1-azaspiro[3.3]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 125.12045 Da
Monoisotopic Mass: 1.5
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	121.7
[M+Na]+	148.10967	126.3
[M-H]-	124.11317	124.7
[M+NH4]+	143.15427	131.0
[M+K]+	164.08361	129.9
[M+H-H2O]+	108.11771	108.9
[M+HCOO]-	170.11865	138.1
[M+CH3COO]-	184.13430	183.2
[M+Na-2H]-	146.09512	128.4
[M]+	125.11990	134.5
[M]-	125.12100	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.