CID 423540

Nsc154741

Structural Information

Molecular Formula
C8H11N
SMILES
C1C2CC3C1C4C2N3C4
InChI
InChI=1S/C8H11N/c1-4-2-7-5(1)6-3-9(7)8(4)6/h4-8H,1-3H2
InChIKey
OHFFNFOHJNOFTD-UHFFFAOYSA-N
Compound name
3-azatetracyclo[4.2.1.02,5.03,7]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

121.08915 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.096426 125.9
[M+Na]+ 144.078368 132.4
[M-H]- 120.081874 128.8
[M+NH4]+ 139.122973 152.2
[M+K]+ 160.052308 133.7
[M+H-H2O]+ 104.086410 119.9
[M+HCOO]- 166.087351 143.3
[M+CH3COO]- 180.103001 139.6
[M+Na-2H]- 142.063816 129.3
[M]+ 121.08860142 138.6
[M]- 121.08969858 138.6
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.