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

5445
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 146.8
[M+Na]+ 224.04642 154.1
[M-H]- 200.04992 149.0
[M+NH4]+ 219.09102 164.5
[M+K]+ 240.02036 154.5
[M+H-H2O]+ 184.05446 133.9
[M+HCOO]- 246.05540 163.4
[M+CH3COO]- 260.07105 200.3
[M+Na-2H]- 222.03187 148.6
[M]+ 201.05665 145.1
[M]- 201.05775 145.1
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