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

137
Patents

194.15315 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.16043 145.6
[M+Na]+ 217.14237 150.9
[M-H]- 193.14587 143.5
[M+NH4]+ 212.18697 166.1
[M+K]+ 233.11631 148.2
[M+H-H2O]+ 177.15041 136.4
[M+HCOO]- 239.15135 155.4
[M+CH3COO]- 253.16700 155.3
[M+Na-2H]- 215.12782 147.4
[M]+ 194.15260 140.1
[M]- 194.15370 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