CID 3058063

Icig 1490

Structural Information

Molecular Formula
C9H17Cl2NO4
SMILES
C1[C@H]([C@H]([C@H]([C@@H](O1)N(CCCl)CCCl)O)O)O
InChI
InChI=1S/C9H17Cl2NO4/c10-1-3-12(4-2-11)9-8(15)7(14)6(13)5-16-9/h6-9,13-15H,1-5H2/t6-,7-,8-,9-/m1/s1
InChIKey
FUWBATHSWYDOFQ-FNCVBFRFSA-N
Compound name
(2R,3R,4R,5R)-2-[bis(2-chloroethyl)amino]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.05347 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06075 155.4
[M+Na]+ 296.04269 164.7
[M+NH4]+ 291.08729 161.9
[M+K]+ 312.01663 160.6
[M-H]- 272.04619 156.4
[M+Na-2H]- 294.02814 156.8
[M]+ 273.05292 157.2
[M]- 273.05402 157.2
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.