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]+ 113.05971 119.8
[M+Na]+ 135.04165 127.7
[M-H]- 111.04515 123.0
[M+NH4]+ 130.08625 142.3
[M+K]+ 151.01559 128.3
[M+H-H2O]+ 95.049690 115.3
[M+HCOO]- 157.05063 143.1
[M+CH3COO]- 171.06628 164.5
[M+Na-2H]- 133.02710 126.6
[M]+ 112.05188 120.2
[M]- 112.05298 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.