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]+ 142.068496 131.9
[M+Na]+ 164.050438 142.1
[M-H]- 140.053944 136.2
[M+NH4]+ 159.095043 154.0
[M+K]+ 180.024378 139.7
[M+H-H2O]+ 124.058480 120.7
[M+HCOO]- 186.059421 146.7
[M+CH3COO]- 200.075071 185.6
[M+Na-2H]- 162.035886 133.2
[M]+ 141.06067142 127.1
[M]- 141.06176858 127.1
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