CID 34476

2-cyanoethyl n-(methylcarbamoyloxy)ethanimidothioate

Structural Information

Molecular Formula
C7H11N3O2S
SMILES
CC(=NOC(=O)NC)SCCC#N
InChI
InChI=1S/C7H11N3O2S/c1-6(13-5-3-4-8)10-12-7(11)9-2/h3,5H2,1-2H3,(H,9,11)
InChIKey
IWRFWZPCCDGEFJ-UHFFFAOYSA-N
Compound name
2-cyanoethyl N-(methylcarbamoyloxy)ethanimidothioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5197
Patents

201.0572 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06448 142.9
[M+Na]+ 224.04642 149.6
[M+NH4]+ 219.09102 146.0
[M+K]+ 240.02036 141.1
[M-H]- 200.04992 135.4
[M+Na-2H]- 222.03187 142.9
[M]+ 201.05665 140.8
[M]- 201.05775 140.8
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

patents stripe