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]+ 193.079386 138.5
[M+Na]+ 215.061328 145.3
[M-H]- 191.064834 140.7
[M+NH4]+ 210.105933 157.7
[M+K]+ 231.035268 141.3
[M+H-H2O]+ 175.069370 132.1
[M+HCOO]- 237.070311 152.9
[M+CH3COO]- 251.085961 150.3
[M+Na-2H]- 213.046776 142.2
[M]+ 192.07156142 135.0
[M]- 192.07265858 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.