CID 3025403

1-diethylamino-2,3-dibromopropane hydrochloride

Structural Information

Molecular Formula
C7H15Br2N
SMILES
CCN(CC)CC(CBr)Br
InChI
InChI=1S/C7H15Br2N/c1-3-10(4-2)6-7(9)5-8/h7H,3-6H2,1-2H3
InChIKey
QVPBZFNOUMSOCN-UHFFFAOYSA-N
Compound name
2,3-dibromo-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.95712 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.96440 143.5
[M+Na]+ 293.94634 152.5
[M-H]- 269.94984 148.2
[M+NH4]+ 288.99094 163.6
[M+K]+ 309.92028 137.6
[M+H-H2O]+ 253.95438 150.1
[M+HCOO]- 315.95532 159.3
[M+CH3COO]- 329.97097 206.1
[M+Na-2H]- 291.93179 148.9
[M]+ 270.95657 177.8
[M]- 270.95767 177.8
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.