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
5
Annotation Hits

0
References

194
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 132.5
[M+Na]+ 179.05010 140.7
[M-H]- 155.05360 137.3
[M+NH4]+ 174.09470 154.9
[M+K]+ 195.02404 140.4
[M+H-H2O]+ 139.05814 127.7
[M+HCOO]- 201.05908 151.4
[M+CH3COO]- 215.07473 175.2
[M+Na-2H]- 177.03555 135.2
[M]+ 156.06033 136.5
[M]- 156.06143 136.5
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