CID 14206111

3-(isothiocyanatomethyl)-1-methoxy-1h-indole

Structural Information

Molecular Formula
C11H10N2OS
SMILES
CON1C=C(C2=CC=CC=C21)CN=C=S
InChI
InChI=1S/C11H10N2OS/c1-14-13-7-9(6-12-8-15)10-4-2-3-5-11(10)13/h2-5,7H,6H2,1H3
InChIKey
FLURSKCCKANNKS-UHFFFAOYSA-N
Compound name
3-(isothiocyanatomethyl)-1-methoxyindole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

218.05139 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05867 144.7
[M+Na]+ 241.04061 156.3
[M-H]- 217.04411 150.4
[M+NH4]+ 236.08521 166.4
[M+K]+ 257.01455 152.3
[M+H-H2O]+ 201.04865 138.3
[M+HCOO]- 263.04959 167.5
[M+CH3COO]- 277.06524 190.2
[M+Na-2H]- 239.02606 149.8
[M]+ 218.05084 151.1
[M]- 218.05194 151.1
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

No patent data available for this compound.