CID 407020

4-(diethylamino)phenyl thiocyanate hydrochloride

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 148.8
[M+Na]+ 229.07699 158.1
[M-H]- 205.08049 153.8
[M+NH4]+ 224.12159 167.1
[M+K]+ 245.05093 155.5
[M+H-H2O]+ 189.08503 135.9
[M+HCOO]- 251.08597 165.3
[M+CH3COO]- 265.10162 203.0
[M+Na-2H]- 227.06244 151.4
[M]+ 206.08722 147.1
[M]- 206.08832 147.1
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