CID 13047545

3,7,10-triazatricyclo[3.3.3.0,1,5]undecane trihydrochloride

Structural Information

Molecular Formula
C8H15N3
SMILES
C1C23CNCC2(CN1)CNC3
InChI
InChI=1S/C8H15N3/c1-7-2-10-5-8(7,4-9-1)6-11-3-7/h9-11H,1-6H2
InChIKey
KXKUWHXOPDYYCQ-UHFFFAOYSA-N
Compound name
3,7,10-triazatricyclo[3.3.3.01,5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

153.1266 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.13388 137.4
[M+Na]+ 176.11582 142.9
[M-H]- 152.11932 136.0
[M+NH4]+ 171.16042 161.6
[M+K]+ 192.08976 139.4
[M+H-H2O]+ 136.12386 130.0
[M+HCOO]- 198.12480 151.2
[M+CH3COO]- 212.14045 147.9
[M+Na-2H]- 174.10127 139.4
[M]+ 153.12605 126.9
[M]- 153.12715 126.9
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