CID 9554020

1-(aminocarbonyl)propyl n-(((methylamino)carbonyl)oxy)ethanimidothioate

Structural Information

Molecular Formula
C8H15N3O3S
SMILES
CCC(C(=O)N)S/C(=N/OC(=O)NC)/C
InChI
InChI=1S/C8H15N3O3S/c1-4-6(7(9)12)15-5(2)11-14-8(13)10-3/h6H,4H2,1-3H3,(H2,9,12)(H,10,13)/b11-5+
InChIKey
HMJRJJMWNOLUIK-VZUCSPMQSA-N
Compound name
(1-amino-1-oxobutan-2-yl) (1E)-N-(methylcarbamoyloxy)ethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08342 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09070 153.9
[M+Na]+ 256.07264 157.6
[M-H]- 232.07614 154.6
[M+NH4]+ 251.11724 171.2
[M+K]+ 272.04658 157.5
[M+H-H2O]+ 216.08068 146.7
[M+HCOO]- 278.08162 172.2
[M+CH3COO]- 292.09727 198.0
[M+Na-2H]- 254.05809 152.4
[M]+ 233.08287 155.4
[M]- 233.08397 155.4
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.