CID 379213

51837-75-3

Structural Information

Molecular Formula
C10H9NO2S
SMILES
C1C(OC2=CC=CC=C2O1)CSC#N
InChI
InChI=1S/C10H9NO2S/c11-7-14-6-8-5-12-9-3-1-2-4-10(9)13-8/h1-4,8H,5-6H2
InChIKey
NIUTUCCPFPTZNP-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxin-3-ylmethyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0354 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04268 142.1
[M+Na]+ 230.02462 154.7
[M+NH4]+ 225.06922 148.3
[M+K]+ 245.99856 143.6
[M-H]- 206.02812 140.1
[M+Na-2H]- 228.01007 144.9
[M]+ 207.03485 143.1
[M]- 207.03595 143.1
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.