CID 4385120

15008-33-0

Structural Information

Molecular Formula
C8H19BrN
SMILES
C[N+](C)(C)CCCCCBr
InChI
InChI=1S/C8H19BrN/c1-10(2,3)8-6-4-5-7-9/h4-8H2,1-3H3/q+1
InChIKey
YOSALHKHPBALIO-UHFFFAOYSA-N
Compound name
5-bromopentyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

163
Patents

208.07008 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07736 142.0
[M+Na]+ 231.05930 152.1
[M-H]- 207.06280 146.5
[M+NH4]+ 226.10390 165.2
[M+K]+ 247.03324 137.3
[M+H-H2O]+ 191.06734 145.0
[M+HCOO]- 253.06828 163.1
[M+CH3COO]- 267.08393 185.3
[M+Na-2H]- 229.04475 152.3
[M]+ 208.06953 161.5
[M]- 208.07063 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe