CID 16205720

2-amino-2-oxoethyl 2,2-dimethyl-n-(((methylamino)carbonyl)oxy)propanimidothioate

Structural Information

Molecular Formula
C9H17N3O3S
SMILES
CC(C)(C)/C(=N\OC(=O)NC)/SCC(=O)N
InChI
InChI=1S/C9H17N3O3S/c1-9(2,3)7(16-5-6(10)13)12-15-8(14)11-4/h5H2,1-4H3,(H2,10,13)(H,11,14)/b12-7+
InChIKey
TWLAWUDTPDDWGK-KPKJPENVSA-N
Compound name
(2-amino-2-oxoethyl) (1E)-2,2-dimethyl-N-(methylcarbamoyloxy)propanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09906 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10634 157.8
[M+Na]+ 270.08828 161.8
[M-H]- 246.09178 158.5
[M+NH4]+ 265.13288 174.8
[M+K]+ 286.06222 161.4
[M+H-H2O]+ 230.09632 151.0
[M+HCOO]- 292.09726 175.4
[M+CH3COO]- 306.11291 199.6
[M+Na-2H]- 268.07373 157.9
[M]+ 247.09851 159.7
[M]- 247.09961 159.7
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.