CID 105794728

[3-(methoxymethyl)oxan-3-yl]methanol

Structural Information

Molecular Formula
C8H16O3
SMILES
COCC1(CCCOC1)CO
InChI
InChI=1S/C8H16O3/c1-10-6-8(5-9)3-2-4-11-7-8/h9H,2-7H2,1H3
InChIKey
AADQYDZJIMOFAP-UHFFFAOYSA-N
Compound name
[3-(methoxymethyl)oxan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

160.10994 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.117216 134.4
[M+Na]+ 183.099158 139.6
[M-H]- 159.102664 136.6
[M+NH4]+ 178.143763 155.0
[M+K]+ 199.073098 140.5
[M+H-H2O]+ 143.107200 129.7
[M+HCOO]- 205.108141 153.2
[M+CH3COO]- 219.123791 172.3
[M+Na-2H]- 181.084606 141.9
[M]+ 160.10939142 133.1
[M]- 160.11048858 133.1
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