CID 144450

3-azabicyclo[3.2.1]oct-6-ene hydrochloride

Structural Information

Molecular Formula
C7H11N
SMILES
C1C2CNCC1C=C2
InChI
InChI=1S/C7H11N/c1-2-7-3-6(1)4-8-5-7/h1-2,6-8H,3-5H2
InChIKey
UPCJVZGGKGONIK-UHFFFAOYSA-N
Compound name
3-azabicyclo[3.2.1]oct-6-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

109.08915 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.096426 121.3
[M+Na]+ 132.078368 127.9
[M-H]- 108.081874 121.1
[M+NH4]+ 127.122973 145.5
[M+K]+ 148.052308 125.5
[M+H-H2O]+ 92.086410 116.1
[M+HCOO]- 154.087351 139.9
[M+CH3COO]- 168.103001 134.4
[M+Na-2H]- 130.063816 128.7
[M]+ 109.08860142 116.3
[M]- 109.08969858 116.3
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.