CID 4129828

1040849-27-1

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 175.0
[M+Na]+ 329.16885 176.7
[M+NH4]+ 324.21345 180.0
[M+K]+ 345.14279 174.8
[M-H]- 305.17235 175.7
[M+Na-2H]- 327.15430 175.6
[M]+ 306.17908 174.6
[M]- 306.18018 174.6
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.