CID 3337448

Akos024432620

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

0
Patents

304.3566 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.36388 266.6
[M+Na]+ 327.34582 275.8
[M-H]- 303.34932 273.1
[M+NH4]+ 322.39042 271.0
[M+K]+ 343.31976 266.2
[M+H-H2O]+ 287.35386 242.9
[M+HCOO]- 349.35480 295.3
[M+CH3COO]- 363.37045 210.2
[M+Na-2H]- 325.33127 256.2
[M]+ 304.35605 267.2
[M]- 304.35715 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.