CID 4961853

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

Structural Information

Molecular Formula
C9H10S
SMILES
C1CC2=C(C1)C=C(C=C2)S
InChI
InChI=1S/C9H10S/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2
InChIKey
CLYYJRUVOVLSDJ-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indene-5-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

150.05032 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05760 128.2
[M+Na]+ 173.03954 137.7
[M-H]- 149.04304 133.4
[M+NH4]+ 168.08414 153.5
[M+K]+ 189.01348 134.9
[M+H-H2O]+ 133.04758 123.9
[M+HCOO]- 195.04852 147.1
[M+CH3COO]- 209.06417 143.1
[M+Na-2H]- 171.02499 132.3
[M]+ 150.04977 129.3
[M]- 150.05087 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe