CID 58347

Ethylenediamine, n,n-bis(2-chloroethyl)-n'-cyclohexyl-n'-methyl-, dihydrochloride

Structural Information

Molecular Formula
C13H26Cl2N2
SMILES
CN(CCN(CCCl)CCCl)C1CCCCC1
InChI
InChI=1S/C13H26Cl2N2/c1-16(13-5-3-2-4-6-13)11-12-17(9-7-14)10-8-15/h13H,2-12H2,1H3
InChIKey
FYWMHYKDPRSFID-UHFFFAOYSA-N
Compound name
N',N'-bis(2-chloroethyl)-N-cyclohexyl-N-methylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1473 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.15458 170.0
[M+Na]+ 303.13652 172.3
[M-H]- 279.14002 173.3
[M+NH4]+ 298.18112 187.4
[M+K]+ 319.11046 169.0
[M+H-H2O]+ 263.14456 163.8
[M+HCOO]- 325.14550 182.1
[M+CH3COO]- 339.16115 209.3
[M+Na-2H]- 301.12197 170.4
[M]+ 280.14675 171.1
[M]- 280.14785 171.1
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.