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 155.5
[M+Na]+ 269.05828 162.5
[M-H]- 245.06178 158.7
[M+NH4]+ 264.10288 174.0
[M+K]+ 285.03222 157.4
[M+H-H2O]+ 229.06632 150.2
[M+HCOO]- 291.06726 171.5
[M+CH3COO]- 305.08291 199.3
[M+Na-2H]- 267.04373 159.1
[M]+ 246.06851 158.3
[M]- 246.06961 158.3
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.