CID 5491759

Thiofanox sulfoxide

Structural Information

Molecular Formula
C9H18N2O3S
SMILES
CC(C)(C)/C(=N/OC(=O)NC)/CS(=O)C
InChI
InChI=1S/C9H18N2O3S/c1-9(2,3)7(6-15(5)13)11-14-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+
InChIKey
NLMRMVVMKCKWFL-YRNVUSSQSA-N
Compound name
[(Z)-(3,3-dimethyl-1-methylsulfinylbutan-2-ylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

234.10382 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11110 153.9
[M+Na]+ 257.09304 158.9
[M-H]- 233.09654 155.4
[M+NH4]+ 252.13764 172.2
[M+K]+ 273.06698 158.8
[M+H-H2O]+ 217.10108 147.8
[M+HCOO]- 279.10202 171.3
[M+CH3COO]- 293.11767 195.8
[M+Na-2H]- 255.07849 154.7
[M]+ 234.10327 158.0
[M]- 234.10437 158.0
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