CID 98134

10553-85-2

Structural Information

Molecular Formula
C9H18N4
SMILES
C1CNC2CCNC3N2C1NCC3
InChI
InChI=1S/C9H18N4/c1-4-10-8-3-6-12-9-2-5-11-7(1)13(8)9/h7-12H,1-6H2
InChIKey
ZNJURNUHQCGRLX-UHFFFAOYSA-N
Compound name
2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

26
Patents

182.15315 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.16043 145.9
[M+Na]+ 205.14237 148.7
[M-H]- 181.14587 138.7
[M+NH4]+ 200.18697 159.8
[M+K]+ 221.11631 143.4
[M+H-H2O]+ 165.15041 136.9
[M+HCOO]- 227.15135 150.1
[M+CH3COO]- 241.16700 152.7
[M+Na-2H]- 203.12782 151.1
[M]+ 182.15260 132.2
[M]- 182.15370 132.2
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