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

5
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

literature stripe

Patent stripe

patents stripe