CID 46926

Ciba derivative 9646

Structural Information

Molecular Formula
C13H33N3
SMILES
CN(CCC[N+](C)(C)C)CCC[N+](C)(C)C
InChI
InChI=1S/C13H33N3/c1-14(10-8-12-15(2,3)4)11-9-13-16(5,6)7/h8-13H2,1-7H3/q+2
InChIKey
IBHAQLWDONHYHZ-UHFFFAOYSA-N
Compound name
trimethyl-[3-[methyl-[3-(trimethylazaniumyl)propyl]amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

231.26744 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.27472 152.1
[M+Na]+ 254.25666 155.8
[M-H]- 230.26016 156.3
[M+NH4]+ 249.30126 171.5
[M+K]+ 270.23060 146.7
[M+H-H2O]+ 214.26470 151.9
[M+HCOO]- 276.26564 175.9
[M+CH3COO]- 290.28129 200.2
[M+Na-2H]- 252.24211 163.2
[M]+ 231.26689 154.2
[M]- 231.26799 154.2
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

patents stripe