CID 378848

Nsc662187

Structural Information

Molecular Formula
C7H14O4
SMILES
CC(C1CCC(OO1)OC)O
InChI
InChI=1S/C7H14O4/c1-5(8)6-3-4-7(9-2)11-10-6/h5-8H,3-4H2,1-2H3
InChIKey
CKMHGCHTOSNQKN-UHFFFAOYSA-N
Compound name
1-(6-methoxydioxan-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.0892 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.096476 133.8
[M+Na]+ 185.078418 139.2
[M-H]- 161.081924 136.9
[M+NH4]+ 180.123023 151.1
[M+K]+ 201.052358 141.8
[M+H-H2O]+ 145.086460 128.5
[M+HCOO]- 207.087401 151.2
[M+CH3COO]- 221.103051 174.1
[M+Na-2H]- 183.063866 139.7
[M]+ 162.08865142 133.6
[M]- 162.08974858 133.6
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

No patent data available for this compound.