CID 57195

97282-60-5

Structural Information

Molecular Formula
C14H35N3
SMILES
CCN(CCC[N+](C)(C)C)CCC[N+](C)(C)C
InChI
InChI=1S/C14H35N3/c1-8-15(11-9-13-16(2,3)4)12-10-14-17(5,6)7/h8-14H2,1-7H3/q+2
InChIKey
IGNIOLZDFABMIC-UHFFFAOYSA-N
Compound name
3-[ethyl-[3-(trimethylazaniumyl)propyl]amino]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.2831 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.29038 156.9
[M+Na]+ 268.27232 160.2
[M-H]- 244.27582 160.9
[M+NH4]+ 263.31692 175.7
[M+K]+ 284.24626 150.8
[M+H-H2O]+ 228.28036 156.5
[M+HCOO]- 290.28130 180.4
[M+CH3COO]- 304.29695 203.2
[M+Na-2H]- 266.25777 167.4
[M]+ 245.28255 159.3
[M]- 245.28365 159.3
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.