CID 2447448

2-{[(furan-2-yl)methyl]sulfanyl}acetonitrile

Structural Information

Molecular Formula
C7H7NOS
SMILES
C1=COC(=C1)CSCC#N
InChI
InChI=1S/C7H7NOS/c8-3-5-10-6-7-2-1-4-9-7/h1-2,4H,5-6H2
InChIKey
RGJXYLWWNXJGNK-UHFFFAOYSA-N
Compound name
2-(furan-2-ylmethylsulfanyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

153.02484 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.032116 131.8
[M+Na]+ 176.014058 143.1
[M-H]- 152.017564 136.6
[M+NH4]+ 171.058663 152.2
[M+K]+ 191.987998 141.8
[M+H-H2O]+ 136.022100 120.1
[M+HCOO]- 198.023041 148.7
[M+CH3COO]- 212.038691 185.6
[M+Na-2H]- 173.999506 136.2
[M]+ 153.02429142 130.8
[M]- 153.02538858 130.8
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

No patent data available for this compound.