CID 17690

Bromocholine bromide

Structural Information

Molecular Formula
C5H13BrN
SMILES
C[N+](C)(C)CCBr
InChI
InChI=1S/C5H13BrN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1
InChIKey
VQHMRKMHWCMMTG-UHFFFAOYSA-N
Compound name
2-bromoethyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

582
Patents

166.02315 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03043 127.6
[M+Na]+ 189.01237 138.9
[M-H]- 165.01587 132.7
[M+NH4]+ 184.05697 152.4
[M+K]+ 204.98631 124.9
[M+H-H2O]+ 149.02041 131.3
[M+HCOO]- 211.02135 149.8
[M+CH3COO]- 225.03700 176.7
[M+Na-2H]- 186.99782 139.6
[M]+ 166.02260 146.1
[M]- 166.02370 146.1
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