CID 12190988

4,4-dimethoxytetrahydro-2h-pyran-3-ol

Structural Information

Molecular Formula
C7H14O4
SMILES
COC1(CCOCC1O)OC
InChI
InChI=1S/C7H14O4/c1-9-7(10-2)3-4-11-5-6(7)8/h6,8H,3-5H2,1-2H3
InChIKey
BXGOXDLHSNHTCX-UHFFFAOYSA-N
Compound name
4,4-dimethoxyoxan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

162.0892 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09648 131.7
[M+Na]+ 185.07842 138.2
[M-H]- 161.08192 134.5
[M+NH4]+ 180.12302 152.5
[M+K]+ 201.05236 139.9
[M+H-H2O]+ 145.08646 127.3
[M+HCOO]- 207.08740 151.1
[M+CH3COO]- 221.10305 172.6
[M+Na-2H]- 183.06387 139.3
[M]+ 162.08865 132.0
[M]- 162.08975 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe