CID 53621930

3-azatricyclo[4.2.1.0,2,5]nonane

Structural Information

Molecular Formula
C8H13N
SMILES
C1CC2CC1C3C2NC3
InChI
InChI=1S/C8H13N/c1-2-6-3-5(1)7-4-9-8(6)7/h5-9H,1-4H2
InChIKey
SMYDSCCMFGGJQF-UHFFFAOYSA-N
Compound name
3-azatricyclo[4.2.1.02,5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

123.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.112076 122.9
[M+Na]+ 146.094018 129.2
[M-H]- 122.097524 124.3
[M+NH4]+ 141.138623 143.0
[M+K]+ 162.067958 129.4
[M+H-H2O]+ 106.102060 114.5
[M+HCOO]- 168.103001 140.1
[M+CH3COO]- 182.118651 135.8
[M+Na-2H]- 144.079466 127.7
[M]+ 123.10425142 128.1
[M]- 123.10534858 128.1
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

patents stripe