CID 13973730

9-methyl-3,9-diazabicyclo[4.2.1]nonane

Structural Information

Molecular Formula
C8H16N2
SMILES
CN1C2CCC1CNCC2
InChI
InChI=1S/C8H16N2/c1-10-7-2-3-8(10)6-9-5-4-7/h7-9H,2-6H2,1H3
InChIKey
NRCDIJJTFDJACX-UHFFFAOYSA-N
Compound name
9-methyl-3,9-diazabicyclo[4.2.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

140.13135 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.13863 129.0
[M+Na]+ 163.12057 133.8
[M-H]- 139.12407 128.7
[M+NH4]+ 158.16517 149.3
[M+K]+ 179.09451 134.1
[M+H-H2O]+ 123.12861 122.5
[M+HCOO]- 185.12955 144.0
[M+CH3COO]- 199.14520 140.2
[M+Na-2H]- 161.10602 133.7
[M]+ 140.13080 121.0
[M]- 140.13190 121.0
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