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 192.2
[M+Na]+ 365.17330 194.8
[M-H]- 341.17680 213.5
[M+NH4]+ 360.21790 220.6
[M+K]+ 381.14724 181.5
[M+H-H2O]+ 325.18134 197.4
[M+HCOO]- 387.18228 239.8
[M+CH3COO]- 401.19793 204.7
[M+Na-2H]- 363.15875 198.1
[M]+ 342.18353 222.4
[M]- 342.18463 222.4
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.