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

22
Patents

123.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.11208 122.9
[M+Na]+ 146.09402 129.2
[M-H]- 122.09752 124.3
[M+NH4]+ 141.13862 143.0
[M+K]+ 162.06796 129.4
[M+H-H2O]+ 106.10206 114.5
[M+HCOO]- 168.10300 140.1
[M+CH3COO]- 182.11865 135.8
[M+Na-2H]- 144.07947 127.7
[M]+ 123.10425 128.1
[M]- 123.10535 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