CID 13926386

3-(4-methylfuran-3-yl)propan-1-ol

Structural Information

Molecular Formula
C8H12O2
SMILES
CC1=COC=C1CCCO
InChI
InChI=1S/C8H12O2/c1-7-5-10-6-8(7)3-2-4-9/h5-6,9H,2-4H2,1H3
InChIKey
XSZRMRZQGPOROJ-UHFFFAOYSA-N
Compound name
3-(4-methylfuran-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

140.08372 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 128.0
[M+Na]+ 163.07294 136.3
[M-H]- 139.07644 131.1
[M+NH4]+ 158.11754 149.8
[M+K]+ 179.04688 135.8
[M+H-H2O]+ 123.08098 123.3
[M+HCOO]- 185.08192 151.6
[M+CH3COO]- 199.09757 170.8
[M+Na-2H]- 161.05839 134.3
[M]+ 140.08317 130.2
[M]- 140.08427 130.2
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.