CID 121122

1603-08-3

Structural Information

Molecular Formula
C10H20Cl2N2O
SMILES
CCN(CC)C(=O)CN(CCCl)CCCl
InChI
InChI=1S/C10H20Cl2N2O/c1-3-14(4-2)10(15)9-13(7-5-11)8-6-12/h3-9H2,1-2H3
InChIKey
LSDLELQQKNBBJV-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)amino]-N,N-diethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.09528 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10256 160.5
[M+Na]+ 277.08450 166.0
[M-H]- 253.08800 162.2
[M+NH4]+ 272.12910 179.5
[M+K]+ 293.05844 163.6
[M+H-H2O]+ 237.09254 155.9
[M+HCOO]- 299.09348 175.9
[M+CH3COO]- 313.10913 205.3
[M+Na-2H]- 275.06995 161.7
[M]+ 254.09473 167.0
[M]- 254.09583 167.0
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.