CID 45696

63956-95-6

Structural Information

Molecular Formula
C9H17Cl2NO
SMILES
C1CC(OC1)CN(CCCl)CCCl
InChI
InChI=1S/C9H17Cl2NO/c10-3-5-12(6-4-11)8-9-2-1-7-13-9/h9H,1-8H2
InChIKey
ILGHHVUJHATVFF-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.06873 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.07601 153.9
[M+Na]+ 248.05795 159.4
[M-H]- 224.06145 157.4
[M+NH4]+ 243.10255 173.7
[M+K]+ 264.03189 156.9
[M+H-H2O]+ 208.06599 148.8
[M+HCOO]- 270.06693 166.9
[M+CH3COO]- 284.08258 190.9
[M+Na-2H]- 246.04340 156.4
[M]+ 225.06818 156.6
[M]- 225.06928 156.6
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.