CID 9570447

Brn 2253483

Structural Information

Molecular Formula
C6H9N3O2S
SMILES
C/C(=N\OC(=O)N)/SCCC#N
InChI
InChI=1S/C6H9N3O2S/c1-5(9-11-6(8)10)12-4-2-3-7/h2,4H2,1H3,(H2,8,10)/b9-5+
InChIKey
SZHCBBBXHAWRLB-WEVVVXLNSA-N
Compound name
2-cyanoethyl (1E)-N-carbamoyloxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04155 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.04883 143.1
[M+Na]+ 210.03077 150.7
[M-H]- 186.03427 145.0
[M+NH4]+ 205.07537 161.0
[M+K]+ 226.00471 151.1
[M+H-H2O]+ 170.03881 130.5
[M+HCOO]- 232.03975 159.5
[M+CH3COO]- 246.05540 197.6
[M+Na-2H]- 208.01622 144.4
[M]+ 187.04100 140.3
[M]- 187.04210 140.3
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.