CID 62500696

4-(2-thienyl)tetrahydro-2h-pyran-4-carbonitrile

Structural Information

Molecular Formula
C10H11NOS
SMILES
C1COCCC1(C#N)C2=CC=CS2
InChI
InChI=1S/C10H11NOS/c11-8-10(3-5-12-6-4-10)9-2-1-7-13-9/h1-2,7H,3-6H2
InChIKey
HLEJVYBEURUTQJ-UHFFFAOYSA-N
Compound name
4-thiophen-2-yloxane-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.05614 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06342 137.7
[M+Na]+ 216.04536 148.6
[M+NH4]+ 211.08996 145.4
[M+K]+ 232.01930 137.6
[M-H]- 192.04886 135.3
[M+Na-2H]- 214.03081 143.0
[M]+ 193.05559 138.4
[M]- 193.05669 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

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No patent data available for this compound.