CID 56605

93263-15-1

Structural Information

Molecular Formula
C8H16BrN2
SMILES
C[N+](C)(CCCC#N)CCBr
InChI
InChI=1S/C8H16BrN2/c1-11(2,8-5-9)7-4-3-6-10/h3-5,7-8H2,1-2H3/q+1
InChIKey
RTVQSEGYOJJWLQ-UHFFFAOYSA-N
Compound name
2-bromoethyl-(3-cyanopropyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.04968 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05696 139.7
[M+Na]+ 242.03890 151.4
[M-H]- 218.04240 143.2
[M+NH4]+ 237.08350 160.1
[M+K]+ 258.01284 137.2
[M+H-H2O]+ 202.04694 135.5
[M+HCOO]- 264.04788 159.8
[M+CH3COO]- 278.06353 197.8
[M+Na-2H]- 240.02435 149.4
[M]+ 219.04913 152.6
[M]- 219.05023 152.6
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.