CID 66439369

1-(2-methyloxan-4-yl)ethan-1-ol

Structural Information

Molecular Formula
C8H16O2
SMILES
CC1CC(CCO1)C(C)O
InChI
InChI=1S/C8H16O2/c1-6-5-8(7(2)9)3-4-10-6/h6-9H,3-5H2,1-2H3
InChIKey
CJTODTMIXYJPPD-UHFFFAOYSA-N
Compound name
1-(2-methyloxan-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.11504 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 132.0
[M+Na]+ 167.10426 137.0
[M-H]- 143.10776 134.3
[M+NH4]+ 162.14886 151.5
[M+K]+ 183.07820 137.6
[M+H-H2O]+ 127.11230 127.0
[M+HCOO]- 189.11324 149.5
[M+CH3COO]- 203.12889 172.7
[M+Na-2H]- 165.08971 136.3
[M]+ 144.11449 128.6
[M]- 144.11559 128.6
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.