CID 33640

1-(furan-2-yl)propan-1-ol

Structural Information

Molecular Formula
C7H10O2
SMILES
CCC(C1=CC=CO1)O
InChI
InChI=1S/C7H10O2/c1-2-6(8)7-4-3-5-9-7/h3-6,8H,2H2,1H3
InChIKey
MWXWHUXLVXOXBZ-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

133
Patents

126.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 124.6
[M+Na]+ 149.057298 132.1
[M-H]- 125.060804 127.6
[M+NH4]+ 144.101903 146.5
[M+K]+ 165.031238 132.4
[M+H-H2O]+ 109.065340 119.9
[M+HCOO]- 171.066281 147.5
[M+CH3COO]- 185.081931 167.5
[M+Na-2H]- 147.042746 130.8
[M]+ 126.06753142 125.4
[M]- 126.06862858 125.4
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