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

151
Patents

140.13135 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.138626 129.0
[M+Na]+ 163.120568 133.8
[M-H]- 139.124074 128.7
[M+NH4]+ 158.165173 149.3
[M+K]+ 179.094508 134.1
[M+H-H2O]+ 123.128610 122.5
[M+HCOO]- 185.129551 144.0
[M+CH3COO]- 199.145201 140.2
[M+Na-2H]- 161.106016 133.7
[M]+ 140.13080142 121.0
[M]- 140.13189858 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