CID 217262

2,2-diethoxyethyl thiocyanate

Structural Information

Molecular Formula
C7H13NO2S
SMILES
CCOC(CSC#N)OCC
InChI
InChI=1S/C7H13NO2S/c1-3-9-7(10-4-2)5-11-6-8/h7H,3-5H2,1-2H3
InChIKey
GYEKCZCXSJSOQH-UHFFFAOYSA-N
Compound name
2,2-diethoxyethyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07398 132.1
[M+Na]+ 198.05592 141.0
[M+NH4]+ 193.10052 136.6
[M+K]+ 214.02986 131.7
[M-H]- 174.05942 124.6
[M+Na-2H]- 196.04137 133.0
[M]+ 175.06615 130.7
[M]- 175.06725 130.7
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.