CID 98034

Tetrahydro-2,5-dimethyl-2h-pyranmethanol

Structural Information

Molecular Formula
C8H16O2
SMILES
CC1CCC(OC1)(C)CO
InChI
InChI=1S/C8H16O2/c1-7-3-4-8(2,6-9)10-5-7/h7,9H,3-6H2,1-2H3
InChIKey
BJQJGDGEKXRYBA-UHFFFAOYSA-N
Compound name
(2,5-dimethyloxan-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

144.11504 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 130.6
[M+Na]+ 167.104258 136.8
[M-H]- 143.107764 133.3
[M+NH4]+ 162.148863 152.3
[M+K]+ 183.078198 137.2
[M+H-H2O]+ 127.112300 126.5
[M+HCOO]- 189.113241 149.2
[M+CH3COO]- 203.128891 171.4
[M+Na-2H]- 165.089706 137.5
[M]+ 144.11449142 128.2
[M]- 144.11558858 128.2
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