CID 57429450

1,6-diazacycloundecane

Structural Information

Molecular Formula
C9H20N2
SMILES
C1CCNCCCCNCC1
InChI
InChI=1S/C9H20N2/c1-2-6-10-8-4-5-9-11-7-3-1/h10-11H,1-9H2
InChIKey
CEFFQZLQSJLMFI-UHFFFAOYSA-N
Compound name
1,6-diazacycloundecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

156.16264 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.169916 137.8
[M+Na]+ 179.151858 139.3
[M-H]- 155.155364 131.7
[M+NH4]+ 174.196463 151.1
[M+K]+ 195.125798 137.7
[M+H-H2O]+ 139.159900 133.4
[M+HCOO]- 201.160841 150.0
[M+CH3COO]- 215.176491 164.9
[M+Na-2H]- 177.137306 141.3
[M]+ 156.16209142 123.2
[M]- 156.16318858 123.2
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