CID 57762515

4-isopropyltetrahydro-2h-pyran-4-ol

Structural Information

Molecular Formula
C8H16O2
SMILES
CC(C)C1(CCOCC1)O
InChI
InChI=1S/C8H16O2/c1-7(2)8(9)3-5-10-6-4-8/h7,9H,3-6H2,1-2H3
InChIKey
XUWIXDMDHOHGHO-UHFFFAOYSA-N
Compound name
4-propan-2-yloxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

144.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 131.9
[M+Na]+ 167.104258 136.9
[M-H]- 143.107764 134.3
[M+NH4]+ 162.148863 153.2
[M+K]+ 183.078198 137.8
[M+H-H2O]+ 127.112300 127.6
[M+HCOO]- 189.113241 149.5
[M+CH3COO]- 203.128891 171.1
[M+Na-2H]- 165.089706 138.1
[M]+ 144.11449142 128.4
[M]- 144.11558858 128.4
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

patents stripe