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 157.0
[M+Na]+ 296.04269 163.0
[M-H]- 272.04619 157.6
[M+NH4]+ 291.08729 172.0
[M+K]+ 312.01663 160.1
[M+H-H2O]+ 256.05073 153.5
[M+HCOO]- 318.05167 164.7
[M+CH3COO]- 332.06732 193.5
[M+Na-2H]- 294.02814 158.3
[M]+ 273.05292 158.2
[M]- 273.05402 158.2
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.