CID 119719

N,n-bis(2-chloroethyl)-2-methoxyethylamine hydrochloride

Structural Information

Molecular Formula
C7H15Cl2NO
SMILES
COCCN(CCCl)CCCl
InChI
InChI=1S/C7H15Cl2NO/c1-11-7-6-10(4-2-8)5-3-9/h2-7H2,1H3
InChIKey
ILEQWUZHPNITDE-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-methoxyethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

199.05307 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.06035 142.3
[M+Na]+ 222.04229 149.5
[M-H]- 198.04579 142.9
[M+NH4]+ 217.08689 163.3
[M+K]+ 238.01623 146.8
[M+H-H2O]+ 182.05033 138.7
[M+HCOO]- 244.05127 157.9
[M+CH3COO]- 258.06692 189.1
[M+Na-2H]- 220.02774 147.0
[M]+ 199.05252 148.4
[M]- 199.05362 148.4
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.