CID 58983

101832-23-9

Structural Information

Molecular Formula
C15H32Cl2N2O2
SMILES
C[N+](CCCCCCCCC[N+](C)(CCCl)[O-])(CCCl)[O-]
InChI
InChI=1S/C15H32Cl2N2O2/c1-18(20,14-10-16)12-8-6-4-3-5-7-9-13-19(2,21)15-11-17/h3-15H2,1-2H3
InChIKey
CFOJNHPHERTFRV-UHFFFAOYSA-N
Compound name
N,N'-bis(2-chloroethyl)-N,N'-dimethylnonane-1,9-diamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.18408 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.19136 199.7
[M+Na]+ 365.17330 202.9
[M+NH4]+ 360.21790 206.0
[M+K]+ 381.14724 209.3
[M-H]- 341.17680 193.5
[M+Na-2H]- 363.15875 193.9
[M]+ 342.18353 199.7
[M]- 342.18463 199.7
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.