CID 59573

102585-24-0

Structural Information

Molecular Formula
C10H21Cl2NO2
SMILES
CCOC(CN(CCCl)CCCl)OCC
InChI
InChI=1S/C10H21Cl2NO2/c1-3-14-10(15-4-2)9-13(7-5-11)8-6-12/h10H,3-9H2,1-2H3
InChIKey
GRWXPWFORDPFIZ-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2,2-diethoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.09494 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10222 158.5
[M+Na]+ 280.08416 164.4
[M-H]- 256.08766 158.8
[M+NH4]+ 275.12876 177.2
[M+K]+ 296.05810 161.8
[M+H-H2O]+ 240.09220 154.3
[M+HCOO]- 302.09314 172.6
[M+CH3COO]- 316.10879 200.5
[M+Na-2H]- 278.06961 160.5
[M]+ 257.09439 166.7
[M]- 257.09549 166.7
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.