CID 148822

Thiiranebutanenitrile

Structural Information

Molecular Formula
C6H9NS
SMILES
C1C(S1)CCCC#N
InChI
InChI=1S/C6H9NS/c7-4-2-1-3-6-5-8-6/h6H,1-3,5H2
InChIKey
GWYOVZVXBRVBBE-UHFFFAOYSA-N
Compound name
4-(thiiran-2-yl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

127.04557 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05285 122.8
[M+Na]+ 150.03479 134.3
[M+NH4]+ 145.07939 129.5
[M+K]+ 166.00873 125.4
[M-H]- 126.03829 123.9
[M+Na-2H]- 148.02024 128.3
[M]+ 127.04502 125.3
[M]- 127.04612 125.3
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.