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
1
Annotation Hits

0
References

112
Patents

148.10994 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.11722 133.9
[M+Na]+ 171.09916 140.3
[M-H]- 147.10266 131.4
[M+NH4]+ 166.14376 154.1
[M+K]+ 187.07310 139.7
[M+H-H2O]+ 131.10720 130.0
[M+HCOO]- 193.10814 153.5
[M+CH3COO]- 207.12379 171.1
[M+Na-2H]- 169.08461 140.1
[M]+ 148.10939 135.7
[M]- 148.11049 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