CID 16205232

Ns00063319

Structural Information

Molecular Formula
C18H39NO4
SMILES
CCCCCCCCCCOCC(CC(CCO)(CCO)N)O
InChI
InChI=1S/C18H39NO4/c1-2-3-4-5-6-7-8-9-14-23-16-17(22)15-18(19,10-12-20)11-13-21/h17,20-22H,2-16,19H2,1H3
InChIKey
XGFVOVNOWWDFRD-UHFFFAOYSA-N
Compound name
3-amino-6-decoxy-3-(2-hydroxyethyl)hexane-1,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.2879 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.295176 189.5
[M+Na]+ 356.277118 189.4
[M-H]- 332.280624 182.8
[M+NH4]+ 351.321723 200.6
[M+K]+ 372.251058 186.1
[M+H-H2O]+ 316.285160 182.8
[M+HCOO]- 378.286101 203.5
[M+CH3COO]- 392.301751 209.1
[M+Na-2H]- 354.262566 187.6
[M]+ 333.28735142 192.3
[M]- 333.28844858 192.3
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.