CID 4962081

852399-78-1

Structural Information

Molecular Formula
C10H10N2S
SMILES
CC1=C(C(=S)NC2=C1CCC2)C#N
InChI
InChI=1S/C10H10N2S/c1-6-7-3-2-4-9(7)12-10(13)8(6)5-11/h2-4H2,1H3,(H,12,13)
InChIKey
VQJXGYMFSRCMKL-UHFFFAOYSA-N
Compound name
4-methyl-2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

190.05647 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06375 137.7
[M+Na]+ 213.04569 149.5
[M+NH4]+ 208.09029 143.6
[M+K]+ 229.01963 139.7
[M-H]- 189.04919 132.3
[M+Na-2H]- 211.03114 139.8
[M]+ 190.05592 137.4
[M]- 190.05702 137.4
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