CID 496425

Nsc688896

Structural Information

Molecular Formula
C13H27NO6
SMILES
CCOC(C(C(C(C1COC(O1)(C)C)O)O)N)OCC
InChI
InChI=1S/C13H27NO6/c1-5-17-12(18-6-2)9(14)11(16)10(15)8-7-19-13(3,4)20-8/h8-12,15-16H,5-7,14H2,1-4H3
InChIKey
ZWVGYNRKLYPVBU-UHFFFAOYSA-N
Compound name
3-amino-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-diethoxybutane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.18384 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.19112 172.1
[M+Na]+ 316.17306 174.2
[M-H]- 292.17656 172.7
[M+NH4]+ 311.21766 186.1
[M+K]+ 332.14700 177.0
[M+H-H2O]+ 276.18110 167.2
[M+HCOO]- 338.18204 185.7
[M+CH3COO]- 352.19769 200.9
[M+Na-2H]- 314.15851 170.5
[M]+ 293.18329 173.8
[M]- 293.18439 173.8
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.