CID 2759357

5-indanyl isothiocyanate

Structural Information

Molecular Formula
C10H9NS
SMILES
C1CC2=C(C1)C=C(C=C2)N=C=S
InChI
InChI=1S/C10H9NS/c12-7-11-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3H2
InChIKey
DRZNKOAIZHUADV-UHFFFAOYSA-N
Compound name
5-isothiocyanato-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

175.04558 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05286 136.4
[M+Na]+ 198.03480 148.4
[M+NH4]+ 193.07940 147.1
[M+K]+ 214.00874 140.0
[M-H]- 174.03830 140.3
[M+Na-2H]- 196.02025 142.6
[M]+ 175.04503 139.6
[M]- 175.04613 139.6
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