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]+ 161.11722 134.4
[M+Na]+ 183.09916 139.6
[M-H]- 159.10266 136.6
[M+NH4]+ 178.14376 155.0
[M+K]+ 199.07310 140.5
[M+H-H2O]+ 143.10720 129.7
[M+HCOO]- 205.10814 153.2
[M+CH3COO]- 219.12379 172.3
[M+Na-2H]- 181.08461 141.9
[M]+ 160.10939 133.1
[M]- 160.11049 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