CID 165919823

(6s)-6-ethynyl-5-azaspiro[2.4]heptane hydrochloride

Structural Information

Molecular Formula
C8H11N
SMILES
C#CC1CC2(CC2)CN1
InChI
InChI=1S/C8H11N/c1-2-7-5-8(3-4-8)6-9-7/h1,7,9H,3-6H2
InChIKey
FOZYRTMYBDSODU-UHFFFAOYSA-N
Compound name
6-ethynyl-5-azaspiro[2.4]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

121.08915 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.096426 125.2
[M+Na]+ 144.078368 141.0
[M-H]- 120.081874 129.4
[M+NH4]+ 139.122973 144.2
[M+K]+ 160.052308 133.0
[M+H-H2O]+ 104.086410 116.5
[M+HCOO]- 166.087351 141.7
[M+CH3COO]- 180.103001 138.6
[M+Na-2H]- 142.063816 132.0
[M]+ 121.08860142 119.9
[M]- 121.08969858 119.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.