CID 82109

2-ethyl-2-(methoxymethyl)propane-1,3-diol

Structural Information

Molecular Formula
C7H16O3
SMILES
CCC(CO)(CO)COC
InChI
InChI=1S/C7H16O3/c1-3-7(4-8,5-9)6-10-2/h8-9H,3-6H2,1-2H3
InChIKey
NSNOJFKJIAUDLP-UHFFFAOYSA-N
Compound name
2-ethyl-2-(methoxymethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

123
Patents

148.10994 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.117216 133.9
[M+Na]+ 171.099158 140.3
[M-H]- 147.102664 131.4
[M+NH4]+ 166.143763 154.1
[M+K]+ 187.073098 139.7
[M+H-H2O]+ 131.107200 130.0
[M+HCOO]- 193.108141 153.5
[M+CH3COO]- 207.123791 171.1
[M+Na-2H]- 169.084606 140.1
[M]+ 148.10939142 135.7
[M]- 148.11048858 135.7
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

patents stripe