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

1279
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

literature stripe

Patent stripe

patents stripe