CID 16205718

2-amino-1-methyl-2-oxoethyl n-(((methylamino)carbonyl)oxy)ethanimidothioate

Structural Information

Molecular Formula
C7H13N3O3S
SMILES
CC(C(=O)N)S/C(=N/OC(=O)NC)/C
InChI
InChI=1S/C7H13N3O3S/c1-4(6(8)11)14-5(2)10-13-7(12)9-3/h4H,1-3H3,(H2,8,11)(H,9,12)/b10-5+
InChIKey
ZRANGPABHNDNIN-BJMVGYQFSA-N
Compound name
(1-amino-1-oxopropan-2-yl) (1E)-N-(methylcarbamoyloxy)ethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.06776 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07504 150.1
[M+Na]+ 242.05698 154.3
[M+NH4]+ 237.10158 155.0
[M+K]+ 258.03092 150.9
[M-H]- 218.06048 148.5
[M+Na-2H]- 240.04243 150.1
[M]+ 219.06721 149.9
[M]- 219.06831 149.9
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.