CID 3337448

Schembl32690045

Structural Information

Molecular Formula
C17H44N4
SMILES
C[N+](C)(C)CC(C[N+](C)(C)C)(C[N+](C)(C)C)C[N+](C)(C)C
InChI
InChI=1S/C17H44N4/c1-18(2,3)13-17(14-19(4,5)6,15-20(7,8)9)16-21(10,11)12/h13-16H2,1-12H3/q+4
InChIKey
QZAPPPONFBHEFB-UHFFFAOYSA-N
Compound name
trimethyl-[3-(trimethylazaniumyl)-2,2-bis[(trimethylazaniumyl)methyl]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

304.3566 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.363876 266.6
[M+Na]+ 327.345818 275.8
[M-H]- 303.349324 273.1
[M+NH4]+ 322.390423 271.0
[M+K]+ 343.319758 266.2
[M+H-H2O]+ 287.353860 243.0
[M+HCOO]- 349.354801 295.3
[M+CH3COO]- 363.370451 210.2
[M+Na-2H]- 325.331266 256.2
[M]+ 304.35605142 267.2
[M]- 304.35714858 267.2
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

No patent data available for this compound.