CID 60326

324 hc

Structural Information

Molecular Formula
C16H38N4
SMILES
CC[N+](C)(C)CCN1CCN(CC1)CC[N+](C)(C)CC
InChI
InChI=1S/C16H38N4/c1-7-19(3,4)15-13-17-9-11-18(12-10-17)14-16-20(5,6)8-2/h7-16H2,1-6H3/q+2
InChIKey
GPVUXYIGMFHPBU-UHFFFAOYSA-N
Compound name
ethyl-[2-[4-[2-[ethyl(dimethyl)azaniumyl]ethyl]piperazin-1-yl]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.30966 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.31694 168.9
[M+Na]+ 309.29888 171.1
[M-H]- 285.30238 171.3
[M+NH4]+ 304.34348 182.9
[M+K]+ 325.27282 159.4
[M+H-H2O]+ 269.30692 166.3
[M+HCOO]- 331.30786 185.1
[M+CH3COO]- 345.32351 203.5
[M+Na-2H]- 307.28433 178.8
[M]+ 286.30911 166.3
[M]- 286.31021 166.3
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.