CID 165945748

(2,3-dihydro-1h-indol-6-yl)(imino)methyl-lambda6-sulfanone dihydrochloride

Structural Information

Molecular Formula
C9H12N2OS
SMILES
CS(=N)(=O)C1=CC2=C(CCN2)C=C1
InChI
InChI=1S/C9H12N2OS/c1-13(10,12)8-3-2-7-4-5-11-9(7)6-8/h2-3,6,10-11H,4-5H2,1H3
InChIKey
OJLRTJPMCNXMEL-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indol-6-yl-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

196.06703 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07431 140.5
[M+Na]+ 219.05625 149.4
[M-H]- 195.05975 142.8
[M+NH4]+ 214.10085 161.3
[M+K]+ 235.03019 144.9
[M+H-H2O]+ 179.06429 135.5
[M+HCOO]- 241.06523 156.5
[M+CH3COO]- 255.08088 179.6
[M+Na-2H]- 217.04170 145.5
[M]+ 196.06648 139.0
[M]- 196.06758 139.0
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