CID 2759357

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

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

45
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 134.7
[M+Na]+ 198.03480 144.0
[M-H]- 174.03830 141.0
[M+NH4]+ 193.07940 159.1
[M+K]+ 214.00874 140.4
[M+H-H2O]+ 158.04284 129.5
[M+HCOO]- 220.04378 156.0
[M+CH3COO]- 234.05943 149.3
[M+Na-2H]- 196.02025 139.2
[M]+ 175.04503 135.8
[M]- 175.04613 135.8
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