CID 9794169

79236-92-3

Structural Information

Molecular Formula
C10H18N4
SMILES
C1CN2CCN3CCN4C3C2N1CC4
InChI
InChI=1S/C10H18N4/c1-2-12-7-8-14-4-3-13-6-5-11(1)9(12)10(13)14/h9-10H,1-8H2
InChIKey
YSPZOYMEWUTYDA-UHFFFAOYSA-N
Compound name
1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

194.15315 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.160426 145.6
[M+Na]+ 217.142368 150.9
[M-H]- 193.145874 143.5
[M+NH4]+ 212.186973 166.1
[M+K]+ 233.116308 148.2
[M+H-H2O]+ 177.150410 136.4
[M+HCOO]- 239.151351 155.4
[M+CH3COO]- 253.167001 155.3
[M+Na-2H]- 215.127816 147.4
[M]+ 194.15260142 140.1
[M]- 194.15369858 140.1
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