CID 493174

Oprea1_753305

Structural Information

Molecular Formula
C12H28N6
SMILES
C1C[N+]2(CCN1N)CC[N+]3(CCN(CC3)N)CC2
InChI
InChI=1S/C12H28N6/c13-15-1-5-17(6-2-15)9-11-18(12-10-17)7-3-16(14)4-8-18/h1-14H2/q+2
InChIKey
OREMMOQVRUELSM-UHFFFAOYSA-N
Compound name
3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecane-3,12-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.23755 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.24483 157.0
[M+Na]+ 279.22677 158.7
[M-H]- 255.23027 156.7
[M+NH4]+ 274.27137 170.7
[M+K]+ 295.20071 144.4
[M+H-H2O]+ 239.23481 151.5
[M+HCOO]- 301.23575 165.0
[M+CH3COO]- 315.25140 183.3
[M+Na-2H]- 277.21222 166.0
[M]+ 256.23700 138.6
[M]- 256.23810 138.6
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

No patent data available for this compound.