CID 375966

Nsc656320

Structural Information

Molecular Formula
C6H12O4
SMILES
COC1CCC(OO1)CO
InChI
InChI=1S/C6H12O4/c1-8-6-3-2-5(4-7)9-10-6/h5-7H,2-4H2,1H3
InChIKey
UJEPSCABKOAZNW-UHFFFAOYSA-N
Compound name
(6-methoxydioxan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.07356 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08084 128.5
[M+Na]+ 171.06278 134.6
[M-H]- 147.06628 131.7
[M+NH4]+ 166.10738 146.5
[M+K]+ 187.03672 137.0
[M+H-H2O]+ 131.07082 123.3
[M+HCOO]- 193.07176 147.3
[M+CH3COO]- 207.08741 170.1
[M+Na-2H]- 169.04823 136.3
[M]+ 148.07301 128.6
[M]- 148.07411 128.6
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.