CID 82074939

2,3-dihydro-1h-indene-5-carbothioamide

Structural Information

Molecular Formula
C10H11NS
SMILES
C1CC2=C(C1)C=C(C=C2)C(=S)N
InChI
InChI=1S/C10H11NS/c11-10(12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,11,12)
InChIKey
UQJPBGPRWZJHEM-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indene-5-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.06122 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.068496 136.6
[M+Na]+ 200.050438 144.6
[M-H]- 176.053944 140.9
[M+NH4]+ 195.095043 159.9
[M+K]+ 216.024378 140.8
[M+H-H2O]+ 160.058480 131.7
[M+HCOO]- 222.059421 154.5
[M+CH3COO]- 236.075071 150.0
[M+Na-2H]- 198.035886 138.6
[M]+ 177.06067142 135.0
[M]- 177.06176858 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

patents stripe