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

1
Patents

219.06776 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.075036 149.5
[M+Na]+ 242.056978 153.6
[M-H]- 218.060484 150.4
[M+NH4]+ 237.101583 167.3
[M+K]+ 258.030918 153.8
[M+H-H2O]+ 202.065020 142.4
[M+HCOO]- 264.065961 168.1
[M+CH3COO]- 278.081611 195.0
[M+Na-2H]- 240.042426 148.4
[M]+ 219.06721142 150.6
[M]- 219.06830858 150.6
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