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

0
Patents

139.00919 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.01647 123.5
[M+Na]+ 161.99841 133.5
[M+NH4]+ 157.04301 129.2
[M+K]+ 177.97235 125.5
[M-H]- 138.00191 117.6
[M+Na-2H]- 159.98386 126.4
[M]+ 139.00864 122.7
[M]- 139.00974 122.7
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.