CID 3025274

Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride

Structural Information

Molecular Formula
C11H16Cl2N2
SMILES
C1=CC(=CC=C1CN(CCCl)CCCl)N
InChI
InChI=1S/C11H16Cl2N2/c12-5-7-15(8-6-13)9-10-1-3-11(14)4-2-10/h1-4H,5-9,14H2
InChIKey
DRIKWWLEFAJGEN-UHFFFAOYSA-N
Compound name
4-[bis(2-chloroethyl)aminomethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.06906 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07634 153.7
[M+Na]+ 269.05828 166.3
[M+NH4]+ 264.10288 162.8
[M+K]+ 285.03222 157.8
[M-H]- 245.06178 157.4
[M+Na-2H]- 267.04373 160.7
[M]+ 246.06851 157.1
[M]- 246.06961 157.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.