CID 59571

102585-23-9

Structural Information

Molecular Formula
C14H29Cl2NO2
SMILES
CCCCOC(CN(CCCl)CCCl)OCCCC
InChI
InChI=1S/C14H29Cl2NO2/c1-3-5-11-18-14(19-12-6-4-2)13-17(9-7-15)10-8-16/h14H,3-13H2,1-2H3
InChIKey
FEQILUHXVDJSNM-UHFFFAOYSA-N
Compound name
2,2-dibutoxy-N,N-bis(2-chloroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.15753 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.16481 176.9
[M+Na]+ 336.14675 181.2
[M-H]- 312.15025 176.5
[M+NH4]+ 331.19135 193.4
[M+K]+ 352.12069 177.5
[M+H-H2O]+ 296.15479 171.9
[M+HCOO]- 358.15573 189.7
[M+CH3COO]- 372.17138 212.2
[M+Na-2H]- 334.13220 176.8
[M]+ 313.15698 186.7
[M]- 313.15808 186.7
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.