CID 130816043

1860511-56-3

Structural Information

Molecular Formula
C8H11N
SMILES
C#CCN1CC2CC2C1
InChI
InChI=1S/C8H11N/c1-2-3-9-5-7-4-8(7)6-9/h1,7-8H,3-6H2
InChIKey
HRUOHVGPRWBSAB-UHFFFAOYSA-N
Compound name
3-prop-2-ynyl-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

121.08915 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.096426 123.6
[M+Na]+ 144.078368 140.0
[M-H]- 120.081874 127.8
[M+NH4]+ 139.122973 142.3
[M+K]+ 160.052308 132.2
[M+H-H2O]+ 104.086410 114.3
[M+HCOO]- 166.087351 141.3
[M+CH3COO]- 180.103001 137.6
[M+Na-2H]- 142.063816 130.3
[M]+ 121.08860142 121.5
[M]- 121.08969858 121.5
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.