CID 2447448

86251-29-8

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]+ 154.03212 127.5
[M+Na]+ 176.01406 138.5
[M+NH4]+ 171.05866 133.3
[M+K]+ 191.98800 129.4
[M-H]- 152.01756 123.3
[M+Na-2H]- 173.99951 130.5
[M]+ 153.02429 127.4
[M]- 153.02539 127.4
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

No patent data available for this compound.