CID 118111441

2202731-21-1

Structural Information

Molecular Formula
C8H14N2
SMILES
C1C2C(CN1)C3C2CNC3
InChI
InChI=1S/C8H14N2/c1-5-6(2-9-1)8-4-10-3-7(5)8/h5-10H,1-4H2
InChIKey
FKYWLZUPBICXFW-UHFFFAOYSA-N
Compound name
4,9-diazatricyclo[5.3.0.02,6]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

138.11569 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.122966 127.5
[M+Na]+ 161.104908 132.9
[M-H]- 137.108414 127.3
[M+NH4]+ 156.149513 144.3
[M+K]+ 177.078848 132.5
[M+H-H2O]+ 121.112950 117.5
[M+HCOO]- 183.113891 142.2
[M+CH3COO]- 197.129541 138.9
[M+Na-2H]- 159.090356 130.6
[M]+ 138.11514142 129.5
[M]- 138.11623858 129.5
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