CID 137944526

6-ethynyl-1-azaspiro[3.3]heptane

Structural Information

Molecular Formula
C8H11N
SMILES
C#CC1CC2(C1)CCN2
InChI
InChI=1S/C8H11N/c1-2-7-5-8(6-7)3-4-9-8/h1,7,9H,3-6H2
InChIKey
AUGAQMBGPRXXFB-UHFFFAOYSA-N
Compound name
6-ethynyl-1-azaspiro[3.3]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 112.8
[M+Na]+ 144.078368 119.7
[M-H]- 120.081874 115.0
[M+NH4]+ 139.122973 121.3
[M+K]+ 160.052308 123.2
[M+H-H2O]+ 104.086410 96.0
[M+HCOO]- 166.087351 125.0
[M+CH3COO]- 180.103001 189.7
[M+Na-2H]- 142.063816 119.5
[M]+ 121.08860142 119.4
[M]- 121.08969858 119.4
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.