CID 7360

Tetrahydrofurfuryl alcohol

Structural Information

Molecular Formula
C5H10O2
SMILES
C1CC(OC1)CO
InChI
InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2
InChIKey
BSYVTEYKTMYBMK-UHFFFAOYSA-N
Compound name
oxolan-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

51
References

101162
Patents

102.06808 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.07536 118.6
[M+Na]+ 125.05730 125.0
[M-H]- 101.06080 121.1
[M+NH4]+ 120.10190 141.3
[M+K]+ 141.03124 125.8
[M+H-H2O]+ 85.065340 114.2
[M+HCOO]- 147.06628 140.2
[M+CH3COO]- 161.08193 161.3
[M+Na-2H]- 123.04275 125.2
[M]+ 102.06753 116.4
[M]- 102.06863 116.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe