CID 59537

102571-43-7

Structural Information

Molecular Formula
C9H19BrN
SMILES
CC[N+](CC)(CC)CC(=C)Br
InChI
InChI=1S/C9H19BrN/c1-5-11(6-2,7-3)8-9(4)10/h4-8H2,1-3H3/q+1
InChIKey
JRLHVLADHCDQPI-UHFFFAOYSA-N
Compound name
2-bromoprop-2-enyl(triethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07008 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07736 145.1
[M+Na]+ 243.05930 154.8
[M-H]- 219.06280 149.5
[M+NH4]+ 238.10390 167.7
[M+K]+ 259.03324 139.5
[M+H-H2O]+ 203.06734 148.1
[M+HCOO]- 265.06828 165.2
[M+CH3COO]- 279.08393 187.7
[M+Na-2H]- 241.04475 153.7
[M]+ 220.06953 163.7
[M]- 220.07063 163.7
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.