CID 3025403

102612-80-6

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]+ 271.964396 143.5
[M+Na]+ 293.946338 152.5
[M-H]- 269.949844 148.2
[M+NH4]+ 288.990943 163.6
[M+K]+ 309.920278 137.6
[M+H-H2O]+ 253.954380 150.1
[M+HCOO]- 315.955321 159.3
[M+CH3COO]- 329.970971 206.1
[M+Na-2H]- 291.931786 148.9
[M]+ 270.95657142 177.8
[M]- 270.95766858 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.