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

11
Patents

195.0354 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.04268 141.0
[M+Na]+ 218.02462 152.4
[M-H]- 194.02812 145.7
[M+NH4]+ 213.06922 159.7
[M+K]+ 233.99856 150.2
[M+H-H2O]+ 178.03266 129.2
[M+HCOO]- 240.03360 157.5
[M+CH3COO]- 254.04925 194.7
[M+Na-2H]- 216.01007 144.5
[M]+ 195.03485 141.3
[M]- 195.03595 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