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]+ 176.073976 136.2
[M+Na]+ 198.055918 144.8
[M-H]- 174.059424 137.7
[M+NH4]+ 193.100523 155.3
[M+K]+ 214.029858 144.9
[M+H-H2O]+ 158.063960 124.7
[M+HCOO]- 220.064901 150.9
[M+CH3COO]- 234.080551 192.4
[M+Na-2H]- 196.041366 138.7
[M]+ 175.06615142 137.0
[M]- 175.06724858 137.0
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.