CID 213551

26723-07-9

Structural Information

Molecular Formula
C14H14N2O2S
SMILES
CCC1(CC(C(=O)NC1=O)SC#N)C2=CC=CC=C2
InChI
InChI=1S/C14H14N2O2S/c1-2-14(10-6-4-3-5-7-10)8-11(19-9-15)12(17)16-13(14)18/h3-7,11H,2,8H2,1H3,(H,16,17,18)
InChIKey
CVFPKDGHOZFUDV-UHFFFAOYSA-N
Compound name
(5-ethyl-2,6-dioxo-5-phenylpiperidin-3-yl) thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0776 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08488 164.8
[M+Na]+ 297.06682 174.8
[M-H]- 273.07032 168.4
[M+NH4]+ 292.11142 180.0
[M+K]+ 313.04076 168.4
[M+H-H2O]+ 257.07486 152.0
[M+HCOO]- 319.07580 175.1
[M+CH3COO]- 333.09145 204.4
[M+Na-2H]- 295.05227 165.9
[M]+ 274.07705 158.7
[M]- 274.07815 158.7
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.