CID 5068343

Akos024432619

Structural Information

Molecular Formula
C14H36N3O
SMILES
C[N+](C)(C)CC(C[N+](C)(C)C)(C[N+](C)(C)C)CO
InChI
InChI=1S/C14H36N3O/c1-15(2,3)10-14(13-18,11-16(4,5)6)12-17(7,8)9/h18H,10-13H2,1-9H3/q+3
InChIKey
KIAINHFGROGSRF-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-3-(trimethylazaniumyl)-2-[(trimethylazaniumyl)methyl]propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.28583 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.29311 149.9
[M+Na]+ 285.27505 153.8
[M-H]- 261.27855 153.3
[M+NH4]+ 280.31965 228.2
[M+K]+ 301.24899 139.4
[M+H-H2O]+ 245.28309 153.8
[M+HCOO]- 307.28403 252.9
[M+CH3COO]- 321.29968 197.2
[M+Na-2H]- 283.26050 167.0
[M]+ 262.28528 149.5
[M]- 262.28638 149.5
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.