CID 9588163

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

Structural Information

Molecular Formula
C9H15N3O2S2
SMILES
CCN=C1S/C(=N/OC(=O)NC)/C(S1)(C)C
InChI
InChI=1S/C9H15N3O2S2/c1-5-11-8-15-6(9(2,3)16-8)12-14-7(13)10-4/h5H2,1-4H3,(H,10,13)/b11-8?,12-6+
InChIKey
ICEKSQYUFFHBHE-QQAOMQHTSA-N
Compound name
[(E)-(2-ethylimino-5,5-dimethyl-1,3-dithiolan-4-ylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.06058 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06786 154.7
[M+Na]+ 284.04980 161.2
[M-H]- 260.05330 160.2
[M+NH4]+ 279.09440 176.2
[M+K]+ 300.02374 158.8
[M+H-H2O]+ 244.05784 148.9
[M+HCOO]- 306.05878 171.1
[M+CH3COO]- 320.07443 201.8
[M+Na-2H]- 282.03525 155.8
[M]+ 261.06003 157.8
[M]- 261.06113 157.8
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.