CID 437555

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

Structural Information

Molecular Formula
C9H20Cl2N2
SMILES
CN(C)CCCN(CCCl)CCCl
InChI
InChI=1S/C9H20Cl2N2/c1-12(2)6-3-7-13(8-4-10)9-5-11/h3-9H2,1-2H3
InChIKey
XIKZTUZOLZDGKT-UHFFFAOYSA-N
Compound name
N',N'-bis(2-chloroethyl)-N,N-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.10036 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10764 154.4
[M+Na]+ 249.08958 160.2
[M-H]- 225.09308 156.1
[M+NH4]+ 244.13418 174.6
[M+K]+ 265.06352 157.7
[M+H-H2O]+ 209.09762 149.8
[M+HCOO]- 271.09856 170.6
[M+CH3COO]- 285.11421 201.3
[M+Na-2H]- 247.07503 157.3
[M]+ 226.09981 160.4
[M]- 226.10091 160.4
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.