CID 52137

73680-76-9

Structural Information

Molecular Formula
C10H15BrN
SMILES
C[N+](C)(C)CC1=CC=CC=C1Br
InChI
InChI=1S/C10H15BrN/c1-12(2,3)8-9-6-4-5-7-10(9)11/h4-7H,8H2,1-3H3/q+1
InChIKey
LZNMWEBEGVTPIO-UHFFFAOYSA-N
Compound name
(2-bromophenyl)methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

228.03879 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04607 143.2
[M+Na]+ 251.02801 154.3
[M-H]- 227.03151 151.2
[M+NH4]+ 246.07261 165.7
[M+K]+ 267.00195 138.9
[M+H-H2O]+ 211.03605 146.0
[M+HCOO]- 273.03699 165.3
[M+CH3COO]- 287.05264 187.2
[M+Na-2H]- 249.01346 154.4
[M]+ 228.03824 161.7
[M]- 228.03934 161.7
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.