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 145.1
[M+Na]+ 213.04569 157.9
[M-H]- 189.04919 147.7
[M+NH4]+ 208.09029 164.9
[M+K]+ 229.01963 151.8
[M+H-H2O]+ 173.05373 133.6
[M+HCOO]- 235.05467 157.8
[M+CH3COO]- 249.07032 156.9
[M+Na-2H]- 211.03114 146.5
[M]+ 190.05592 140.2
[M]- 190.05702 140.2
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