CID 11094701

(2r)-2-hydroxy-2-(thiophen-2-yl)acetonitrile

Structural Information

Molecular Formula
C6H5NOS
SMILES
C1=CSC(=C1)[C@@H](C#N)O
InChI
InChI=1S/C6H5NOS/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H/t5-/m1/s1
InChIKey
MDOLBFYWOIYESI-RXMQYKEDSA-N
Compound name
(2R)-2-hydroxy-2-thiophen-2-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

139.00919 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.016466 133.3
[M+Na]+ 161.998408 144.0
[M-H]- 138.001914 136.5
[M+NH4]+ 157.043013 154.4
[M+K]+ 177.972348 141.5
[M+H-H2O]+ 122.006450 121.9
[M+HCOO]- 184.007391 148.7
[M+CH3COO]- 198.023041 181.3
[M+Na-2H]- 159.983856 135.4
[M]+ 139.00864142 129.1
[M]- 139.00973858 129.1
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