CID 3022030

1,3-propanediamine, n,n-bis(2-chloroethyl)-n',n'-diethyl-, dihydrochloride

Structural Information

Molecular Formula
C11H24Cl2N2
SMILES
CCN(CC)CCCN(CCCl)CCCl
InChI
InChI=1S/C11H24Cl2N2/c1-3-14(4-2)8-5-9-15(10-6-12)11-7-13/h3-11H2,1-2H3
InChIKey
YJDHKTCKUNTXPO-UHFFFAOYSA-N
Compound name
N',N'-bis(2-chloroethyl)-N,N-diethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.13165 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13893 163.7
[M+Na]+ 277.12087 168.6
[M-H]- 253.12437 165.0
[M+NH4]+ 272.16547 182.8
[M+K]+ 293.09481 165.6
[M+H-H2O]+ 237.12891 158.7
[M+HCOO]- 299.12985 179.2
[M+CH3COO]- 313.14550 207.1
[M+Na-2H]- 275.10632 165.5
[M]+ 254.13110 170.4
[M]- 254.13220 170.4
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.