CID 407020

5401-10-5

Structural Information

Molecular Formula
C11H14N2S
SMILES
CCN(CC)C1=CC=C(C=C1)SC#N
InChI
InChI=1S/C11H14N2S/c1-3-13(4-2)10-5-7-11(8-6-10)14-9-12/h5-8H,3-4H2,1-2H3
InChIKey
SVMDBXQNDZXPND-UHFFFAOYSA-N
Compound name
[4-(diethylamino)phenyl] thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

206.08777 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09505 142.8
[M+Na]+ 229.07699 154.2
[M+NH4]+ 224.12159 148.7
[M+K]+ 245.05093 142.7
[M-H]- 205.08049 139.2
[M+Na-2H]- 227.06244 147.3
[M]+ 206.08722 143.1
[M]- 206.08832 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

literature stripe

Patent stripe

patents stripe