CID 3528502

Tributylpentylammonium bromide

Structural Information

Molecular Formula
C17H38N
SMILES
CCCCC[N+](CCCC)(CCCC)CCCC
InChI
InChI=1S/C17H38N/c1-5-9-13-17-18(14-10-6-2,15-11-7-3)16-12-8-4/h5-17H2,1-4H3/q+1
InChIKey
YDZKVIKDXBFPMW-UHFFFAOYSA-N
Compound name
tributyl(pentyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

328
Patents

256.3004 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.30768 170.7
[M+Na]+ 279.28962 173.5
[M-H]- 255.29312 171.0
[M+NH4]+ 274.33422 188.7
[M+K]+ 295.26356 166.1
[M+H-H2O]+ 239.29766 167.4
[M+HCOO]- 301.29860 191.5
[M+CH3COO]- 315.31425 202.3
[M+Na-2H]- 277.27507 175.7
[M]+ 256.29985 175.2
[M]- 256.30095 175.2
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

patents stripe