CID 118196325

2-methoxy-2-(oxan-4-yl)ethan-1-ol

Structural Information

Molecular Formula
C8H16O3
SMILES
COC(CO)C1CCOCC1
InChI
InChI=1S/C8H16O3/c1-10-8(6-9)7-2-4-11-5-3-7/h7-9H,2-6H2,1H3
InChIKey
IMOUWWHRKBFKQI-UHFFFAOYSA-N
Compound name
2-methoxy-2-(oxan-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 135.4
[M+Na]+ 183.09916 139.4
[M-H]- 159.10266 137.3
[M+NH4]+ 178.14376 153.9
[M+K]+ 199.07310 140.4
[M+H-H2O]+ 143.10720 129.9
[M+HCOO]- 205.10814 153.2
[M+CH3COO]- 219.12379 173.6
[M+Na-2H]- 181.08461 140.4
[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