CID 5002376

4-thiocyanoveratrole

Structural Information

Molecular Formula
C9H9NO2S
SMILES
COC1=C(C=C(C=C1)SC#N)OC
InChI
InChI=1S/C9H9NO2S/c1-11-8-4-3-7(13-6-10)5-9(8)12-2/h3-5H,1-2H3
InChIKey
WYWHPHJEJJOKGT-UHFFFAOYSA-N
Compound name
(3,4-dimethoxyphenyl) thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

195.0354 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.042676 141.0
[M+Na]+ 218.024618 152.4
[M-H]- 194.028124 145.7
[M+NH4]+ 213.069223 159.7
[M+K]+ 233.998558 150.2
[M+H-H2O]+ 178.032660 129.2
[M+HCOO]- 240.033601 157.5
[M+CH3COO]- 254.049251 194.7
[M+Na-2H]- 216.010066 144.5
[M]+ 195.03485142 141.3
[M]- 195.03594858 141.3
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

patents stripe