CID 70608

1069-72-3

Structural Information

Molecular Formula
C6H14BrN
SMILES
CCN(CC)CCBr
InChI
InChI=1S/C6H14BrN/c1-3-8(4-2)6-5-7/h3-6H2,1-2H3
InChIKey
WRYDGMWSKBGVHS-UHFFFAOYSA-N
Compound name
2-bromo-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1277
Patents

179.03096 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03824 133.7
[M+Na]+ 202.02018 143.7
[M-H]- 178.02368 137.9
[M+NH4]+ 197.06478 157.7
[M+K]+ 217.99412 134.7
[M+H-H2O]+ 162.02822 133.6
[M+HCOO]- 224.02916 156.3
[M+CH3COO]- 238.04481 186.0
[M+Na-2H]- 200.00563 141.2
[M]+ 179.03041 153.6
[M]- 179.03151 153.6
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.