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 131.9
[M+Na]+ 164.05044 142.1
[M-H]- 140.05394 136.2
[M+NH4]+ 159.09504 154.0
[M+K]+ 180.02438 139.7
[M+H-H2O]+ 124.05848 120.7
[M+HCOO]- 186.05942 146.7
[M+CH3COO]- 200.07507 185.6
[M+Na-2H]- 162.03589 133.2
[M]+ 141.06067 127.1
[M]- 141.06177 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