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]+ 253.26383 170.4
[M+Na]+ 275.24577 171.2
[M-H]- 251.24927 175.0
[M+NH4]+ 270.29037 183.9
[M+K]+ 291.21971 159.9
[M+H-H2O]+ 235.25381 165.4
[M+HCOO]- 297.25475 177.8
[M+CH3COO]- 311.27040 192.2
[M+Na-2H]- 273.23122 174.7
[M]+ 252.25600 152.6
[M]- 252.25710 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.