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]+ 178.06850 136.6
[M+Na]+ 200.05044 144.6
[M-H]- 176.05394 140.9
[M+NH4]+ 195.09504 159.9
[M+K]+ 216.02438 140.8
[M+H-H2O]+ 160.05848 131.7
[M+HCOO]- 222.05942 154.5
[M+CH3COO]- 236.07507 150.0
[M+Na-2H]- 198.03589 138.6
[M]+ 177.06067 135.0
[M]- 177.06177 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