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]+ 122.09643 125.9
[M+Na]+ 144.07837 132.4
[M-H]- 120.08187 128.8
[M+NH4]+ 139.12297 152.2
[M+K]+ 160.05231 133.7
[M+H-H2O]+ 104.08641 119.9
[M+HCOO]- 166.08735 143.3
[M+CH3COO]- 180.10300 139.6
[M+Na-2H]- 142.06382 129.3
[M]+ 121.08860 138.6
[M]- 121.08970 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.