CID 9588164

5,5-dimethyl-2-((1-methylethyl)imino)-1,3-dithiolan-4-one o-((methylamino)carbonyl)oxime

Structural Information

Molecular Formula
C10H17N3O2S2
SMILES
CC(C)N=C1S/C(=N/OC(=O)NC)/C(S1)(C)C
InChI
InChI=1S/C10H17N3O2S2/c1-6(2)12-9-16-7(10(3,4)17-9)13-15-8(14)11-5/h6H,1-5H3,(H,11,14)/b12-9?,13-7+
InChIKey
ZPAWRGPHYCZYMK-HDYSOERTSA-N
Compound name
[(E)-(5,5-dimethyl-2-propan-2-ylimino-1,3-dithiolan-4-ylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.07623 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08351 159.6
[M+Na]+ 298.06545 165.3
[M-H]- 274.06895 164.9
[M+NH4]+ 293.11005 180.4
[M+K]+ 314.03939 163.2
[M+H-H2O]+ 258.07349 153.8
[M+HCOO]- 320.07443 174.5
[M+CH3COO]- 334.09008 205.6
[M+Na-2H]- 296.05090 159.3
[M]+ 275.07568 162.4
[M]- 275.07678 162.4
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.