CID 66024089

(4-ethyloxan-4-yl)methanol

Structural Information

Molecular Formula
C8H16O2
SMILES
CCC1(CCOCC1)CO
InChI
InChI=1S/C8H16O2/c1-2-8(7-9)3-5-10-6-4-8/h9H,2-7H2,1H3
InChIKey
RIAJNPRZPWPQCV-UHFFFAOYSA-N
Compound name
(4-ethyloxan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

144.11504 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 131.5
[M+Na]+ 167.10426 136.7
[M-H]- 143.10776 133.8
[M+NH4]+ 162.14886 152.8
[M+K]+ 183.07820 137.1
[M+H-H2O]+ 127.11230 127.0
[M+HCOO]- 189.11324 150.1
[M+CH3COO]- 203.12889 170.2
[M+Na-2H]- 165.08971 138.9
[M]+ 144.11449 128.7
[M]- 144.11559 128.7
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