CID 145359

1,8-diazabicyclo[6.3.1]dodecane

Structural Information

Molecular Formula
C10H20N2
SMILES
C1CCCN2CCCN(C2)CC1
InChI
InChI=1S/C10H20N2/c1-2-4-7-12-9-5-8-11(10-12)6-3-1/h1-10H2
InChIKey
INBYVNOVCKAAGO-UHFFFAOYSA-N
Compound name
1,8-diazabicyclo[6.3.1]dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

168.16264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.169916 183.3
[M+Na]+ 191.151858 184.7
[M-H]- 167.155364 183.1
[M+NH4]+ 186.196463 183.4
[M+K]+ 207.125798 183.1
[M+H-H2O]+ 151.159900 174.8
[M+HCOO]- 213.160841 184.3
[M+CH3COO]- 227.176491 185.1
[M+Na-2H]- 189.137306 186.6
[M]+ 168.16209142 183.7
[M]- 168.16318858 183.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.