CID 155943322

{3-[(3-bromopropyl)(propyl)amino]propyl}dimethylamine dihydrobromide

Structural Information

Molecular Formula
C11H25BrN2
SMILES
CCCN(CCCN(C)C)CCCBr
InChI
InChI=1S/C11H25BrN2/c1-4-8-14(10-5-7-12)11-6-9-13(2)3/h4-11H2,1-3H3
InChIKey
HPBQAGGBBGXIND-UHFFFAOYSA-N
Compound name
N'-(3-bromopropyl)-N,N-dimethyl-N'-propylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12740 160.8
[M+Na]+ 287.10934 168.0
[M-H]- 263.11284 165.3
[M+NH4]+ 282.15394 181.7
[M+K]+ 303.08328 158.6
[M+H-H2O]+ 247.11738 158.5
[M+HCOO]- 309.11832 183.0
[M+CH3COO]- 323.13397 207.9
[M+Na-2H]- 285.09479 164.8
[M]+ 264.11957 182.6
[M]- 264.12067 182.6
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.