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]+ 122.09643 112.8
[M+Na]+ 144.07837 119.7
[M-H]- 120.08187 115.0
[M+NH4]+ 139.12297 121.3
[M+K]+ 160.05231 123.2
[M+H-H2O]+ 104.08641 96.0
[M+HCOO]- 166.08735 125.0
[M+CH3COO]- 180.10300 189.7
[M+Na-2H]- 142.06382 119.5
[M]+ 121.08860 119.4
[M]- 121.08970 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.