CID 76971692

C6 glm

Structural Information

Molecular Formula

C₁₀H₁₉Cl₂NO₅

SMILES

C(CCl)N(CCCl)C[C@H]([C@@H]([C@@H]([C@H](C=O)O)O)O)O

InChI

InChI=1S/C10H19Cl2NO5/c11-1-3-13(4-2-12)5-7(15)9(17)10(18)8(16)6-14/h6-10,15-18H,1-5H2/t7-,8+,9+,10-/m1/s1

InChIKey

LXKPSLUQJMAWQY-XFWSIPNHSA-N

Compound name

(2R,3S,4S,5R)-6-[bis(2-chloroethyl)amino]-2,3,4,5-tetrahydroxyhexanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.06403 Da
Monoisotopic Mass: -1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	304.071306	161.8
[M+Na]+	326.053248	165.4
[M-H]-	302.056754	157.2
[M+NH4]+	321.097853	175.5
[M+K]+	342.027188	162.2
[M+H-H2O]+	286.061290	159.0
[M+HCOO]-	348.062231	168.5
[M+CH3COO]-	362.077881	198.6
[M+Na-2H]-	324.038696	158.9
[M]+	303.06348142	164.6
[M]-	303.06457858	164.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.