CID 130798

183-88-0

Structural Information

Molecular Formula
C12H26N4
SMILES
C1C[N+]2(CCN1)CC[N+]3(CCNCC3)CC2
InChI
InChI=1S/C12H26N4/c1-5-15(6-2-13-1)9-11-16(12-10-15)7-3-14-4-8-16/h13-14H,1-12H2/q+2
InChIKey
RAWPYHHZGFGCCM-UHFFFAOYSA-N
Compound name
3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

18
Patents

226.21574 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.22302 156.7
[M+Na]+ 249.20496 157.2
[M-H]- 225.20846 154.2
[M+NH4]+ 244.24956 170.7
[M+K]+ 265.17890 142.2
[M+H-H2O]+ 209.21300 151.0
[M+HCOO]- 271.21394 160.9
[M+CH3COO]- 285.22959 168.6
[M+Na-2H]- 247.19041 165.8
[M]+ 226.21519 137.0
[M]- 226.21629 137.0
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