CID 1488814

(1s)-1-(furan-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H8O2
SMILES
C[C@@H](C1=COC=C1)O
InChI
InChI=1S/C6H8O2/c1-5(7)6-2-3-8-4-6/h2-5,7H,1H3/t5-/m0/s1
InChIKey
JFYCKQFLCOKZGA-YFKPBYRVSA-N
Compound name
(1S)-1-(furan-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.05243 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.059706 119.8
[M+Na]+ 135.041648 127.7
[M-H]- 111.045154 123.0
[M+NH4]+ 130.086253 142.3
[M+K]+ 151.015588 128.3
[M+H-H2O]+ 95.049690 115.3
[M+HCOO]- 157.050631 143.1
[M+CH3COO]- 171.066281 164.5
[M+Na-2H]- 133.027096 126.6
[M]+ 112.05188142 120.2
[M]- 112.05297858 120.2
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.