CID 3003936

91918-89-7

Structural Information

Molecular Formula
C11H9NO2S
SMILES
CC1=CC(=S)C2=CC3=C(C=C2N1)OCO3
InChI
InChI=1S/C11H9NO2S/c1-6-2-11(15)7-3-9-10(14-5-13-9)4-8(7)12-6/h2-4H,5H2,1H3,(H,12,15)
InChIKey
HZRZFQMPJGRYNC-UHFFFAOYSA-N
Compound name
6-methyl-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.0354 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.04268 142.0
[M+Na]+ 242.02462 153.9
[M-H]- 218.02812 147.2
[M+NH4]+ 237.06922 161.2
[M+K]+ 257.99856 151.2
[M+H-H2O]+ 202.03266 137.4
[M+HCOO]- 264.03360 156.4
[M+CH3COO]- 278.04925 155.9
[M+Na-2H]- 240.01007 147.7
[M]+ 219.03485 145.4
[M]- 219.03595 145.4
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

No patent data available for this compound.