CID 188318

1,4,7-triazacyclononane

Structural Information

Molecular Formula
C6H15N3
SMILES
C1CNCCNCCN1
InChI
InChI=1S/C6H15N3/c1-2-8-5-6-9-4-3-7-1/h7-9H,1-6H2
InChIKey
ITWBWJFEJCHKSN-UHFFFAOYSA-N
Compound name
1,4,7-triazonane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

166
References

27081
Patents

129.1266 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.133876 183.9
[M+Na]+ 152.115818 186.8
[M-H]- 128.119324 184.3
[M+NH4]+ 147.160423 184.6
[M+K]+ 168.089758 184.4
[M+H-H2O]+ 112.123860 176.1
[M+HCOO]- 174.124801 185.4
[M+CH3COO]- 188.140451 186.3
[M+Na-2H]- 150.101266 187.7
[M]+ 129.12605142 184.9
[M]- 129.12714858 184.9
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

patents stripe