CID 58982

Brn 1770507

Structural Information

Molecular Formula
C15H32Cl2N2
SMILES
CN(CCCCCCCCCN(C)CCCl)CCCl
InChI
InChI=1S/C15H32Cl2N2/c1-18(14-10-16)12-8-6-4-3-5-7-9-13-19(2)15-11-17/h3-15H2,1-2H3
InChIKey
NEVZRLPGIKOXTN-UHFFFAOYSA-N
Compound name
N,N'-bis(2-chloroethyl)-N,N'-dimethylnonane-1,9-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.19424 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.20152 182.0
[M+Na]+ 333.18346 185.3
[M-H]- 309.18696 182.5
[M+NH4]+ 328.22806 198.9
[M+K]+ 349.15740 181.2
[M+H-H2O]+ 293.19150 176.1
[M+HCOO]- 355.19244 196.2
[M+CH3COO]- 369.20809 218.8
[M+Na-2H]- 331.16891 181.6
[M]+ 310.19369 190.3
[M]- 310.19479 190.3
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.