CID 12771999

1183233-94-4

Structural Information

Molecular Formula
C7H11NS
SMILES
CSC1CCCC1C#N
InChI
InChI=1S/C7H11NS/c1-9-7-4-2-3-6(7)5-8/h6-7H,2-4H2,1H3
InChIKey
QPYGJORCDHTOBG-UHFFFAOYSA-N
Compound name
2-methylsulfanylcyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

141.06122 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06850 125.9
[M+Na]+ 164.05044 135.7
[M+NH4]+ 159.09504 132.3
[M+K]+ 180.02438 126.6
[M-H]- 140.05394 120.9
[M+Na-2H]- 162.03589 128.2
[M]+ 141.06067 125.4
[M]- 141.06177 125.4
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.

Patent stripe

patents stripe