CID 130590796

5,6,7,8-tetrahydroquinoline-2-carbothioamide

Structural Information

Molecular Formula
C10H12N2S
SMILES
C1CCC2=C(C1)C=CC(=N2)C(=S)N
InChI
InChI=1S/C10H12N2S/c11-10(13)9-6-5-7-3-1-2-4-8(7)12-9/h5-6H,1-4H2,(H2,11,13)
InChIKey
KLYFVRAFSBETEZ-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydroquinoline-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07211 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07939 138.5
[M+Na]+ 215.06133 145.3
[M-H]- 191.06483 140.7
[M+NH4]+ 210.10593 157.7
[M+K]+ 231.03527 141.3
[M+H-H2O]+ 175.06937 132.1
[M+HCOO]- 237.07031 152.9
[M+CH3COO]- 251.08596 150.3
[M+Na-2H]- 213.04678 142.2
[M]+ 192.07156 135.0
[M]- 192.07266 135.0
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

No patent data available for this compound.