CID 61282

Furfuryl isopropyl sulfide

Structural Information

Molecular Formula
C8H12OS
SMILES
CC(C)SCC1=CC=CO1
InChI
InChI=1S/C8H12OS/c1-7(2)10-6-8-4-3-5-9-8/h3-5,7H,6H2,1-2H3
InChIKey
WCHRNAKORAINOJ-UHFFFAOYSA-N
Compound name
2-(propan-2-ylsulfanylmethyl)furan
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

191
Patents

156.06088 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06816 132.9
[M+Na]+ 179.05010 144.0
[M+NH4]+ 174.09470 142.5
[M+K]+ 195.02404 137.9
[M-H]- 155.05360 136.2
[M+Na-2H]- 177.03555 137.6
[M]+ 156.06033 135.9
[M]- 156.06143 135.9
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