CID 4129828

(3-bromopropyl)tributylazanium bromide

Structural Information

Molecular Formula
C15H33BrN
SMILES
CCCC[N+](CCCC)(CCCC)CCCBr
InChI
InChI=1S/C15H33BrN/c1-4-7-12-17(13-8-5-2,14-9-6-3)15-10-11-16/h4-15H2,1-3H3/q+1
InChIKey
LNUIDVVKZBNILX-UHFFFAOYSA-N
Compound name
3-bromopropyl(tributyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17963 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18691 174.8
[M+Na]+ 329.16885 182.1
[M-H]- 305.17235 178.0
[M+NH4]+ 324.21345 194.3
[M+K]+ 345.14279 165.5
[M+H-H2O]+ 289.17689 176.4
[M+HCOO]- 351.17783 193.7
[M+CH3COO]- 365.19348 205.1
[M+Na-2H]- 327.15430 181.3
[M]+ 306.17908 196.8
[M]- 306.18018 196.8
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.