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]+ 163.09648 133.8
[M+Na]+ 185.07842 139.2
[M-H]- 161.08192 136.9
[M+NH4]+ 180.12302 151.1
[M+K]+ 201.05236 141.8
[M+H-H2O]+ 145.08646 128.5
[M+HCOO]- 207.08740 151.2
[M+CH3COO]- 221.10305 174.1
[M+Na-2H]- 183.06387 139.7
[M]+ 162.08865 133.6
[M]- 162.08975 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.