CID 151146

3779-42-8

Structural Information

Molecular Formula
C6H15BrN
SMILES
C[N+](C)(C)CCCBr
InChI
InChI=1S/C6H15BrN/c1-8(2,3)6-4-5-7/h4-6H2,1-3H3/q+1
InChIKey
ZPRBOWQPJKXKDP-UHFFFAOYSA-N
Compound name
3-bromopropyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

806
Patents

180.03879 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04607 132.4
[M+Na]+ 203.02801 143.3
[M-H]- 179.03151 137.3
[M+NH4]+ 198.07261 156.7
[M+K]+ 219.00195 129.1
[M+H-H2O]+ 163.03605 135.9
[M+HCOO]- 225.03699 154.2
[M+CH3COO]- 239.05264 179.6
[M+Na-2H]- 201.01346 143.8
[M]+ 180.03824 151.3
[M]- 180.03934 151.3
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