CID 98144

3,4-dihydro-2,5-dimethyl-2h-pyran-2-methanol

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1=COC(CC1)(C)CO
InChI
InChI=1S/C8H14O2/c1-7-3-4-8(2,6-9)10-5-7/h5,9H,3-4,6H2,1-2H3
InChIKey
HNVJQYHJDJMALK-UHFFFAOYSA-N
Compound name
(2,5-dimethyl-3,4-dihydropyran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

142.09938 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 128.6
[M+Na]+ 165.088598 135.8
[M-H]- 141.092104 131.7
[M+NH4]+ 160.133203 150.4
[M+K]+ 181.062538 136.0
[M+H-H2O]+ 125.096640 124.4
[M+HCOO]- 187.097581 148.7
[M+CH3COO]- 201.113231 171.0
[M+Na-2H]- 163.074046 136.5
[M]+ 142.09883142 127.6
[M]- 142.09992858 127.6
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