CID 170456355

(2s)-2-[2-[[(2s)-1-hydroxybutan-2-yl]amino]ethylamino]butane-1,4-diol

Structural Information

Molecular Formula
C10H24N2O3
SMILES
CC[C@@H](CO)NCCN[C@@H](CCO)CO
InChI
InChI=1S/C10H24N2O3/c1-2-9(7-14)11-4-5-12-10(8-15)3-6-13/h9-15H,2-8H2,1H3/t9-,10-/m0/s1
InChIKey
ZSQAPPRHLJUBFR-UWVGGRQHSA-N
Compound name
(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butane-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.1787 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.185976 155.2
[M+Na]+ 243.167918 157.0
[M-H]- 219.171424 150.3
[M+NH4]+ 238.212523 170.6
[M+K]+ 259.141858 155.5
[M+H-H2O]+ 203.175960 149.0
[M+HCOO]- 265.176901 173.8
[M+CH3COO]- 279.192551 189.4
[M+Na-2H]- 241.153366 156.3
[M]+ 220.17815142 153.5
[M]- 220.17924858 153.5
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.