CID 3056988

73927-59-0

Structural Information

Molecular Formula
C16H32N2
SMILES
C1CCC[N+]2(CC1)CCC[N+]3(CCCCC3)CC2
InChI
InChI=1S/C16H32N2/c1-2-5-10-17(9-4-1)13-8-14-18(16-15-17)11-6-3-7-12-18/h1-16H2/q+2
InChIKey
NTFDVBFZIAXITQ-UHFFFAOYSA-N
Compound name
6,9-diazoniadispiro[5.2.69.36]octadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.25655 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.263826 170.4
[M+Na]+ 275.245768 171.2
[M-H]- 251.249274 175.0
[M+NH4]+ 270.290373 183.9
[M+K]+ 291.219708 159.9
[M+H-H2O]+ 235.253810 165.4
[M+HCOO]- 297.254751 177.8
[M+CH3COO]- 311.270401 192.2
[M+Na-2H]- 273.231216 174.7
[M]+ 252.25600142 152.6
[M]- 252.25709858 152.6
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

No patent data available for this compound.