CID 13521238

3-(furan-3-yl)propan-1-ol

Structural Information

Molecular Formula
C7H10O2
SMILES
C1=COC=C1CCCO
InChI
InChI=1S/C7H10O2/c8-4-1-2-7-3-5-9-6-7/h3,5-6,8H,1-2,4H2
InChIKey
RLUBZTKNAMMEGF-UHFFFAOYSA-N
Compound name
3-(furan-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

126.06808 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 123.8
[M+Na]+ 149.057298 131.5
[M-H]- 125.060804 126.7
[M+NH4]+ 144.101903 145.8
[M+K]+ 165.031238 131.4
[M+H-H2O]+ 109.065340 119.0
[M+HCOO]- 171.066281 147.7
[M+CH3COO]- 185.081931 166.7
[M+Na-2H]- 147.042746 131.3
[M]+ 126.06753142 125.2
[M]- 126.06862858 125.2
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