CID 6510009

S-methyl n-(n'-methyl-n'-t-butylthiosulfinylcarbamoyloxy)thioacetimidate

Structural Information

Molecular Formula
C9H18N2O3S3
SMILES
C/C(=N/OC(=O)N(C)S(=O)SC(C)(C)C)/SC
InChI
InChI=1S/C9H18N2O3S3/c1-7(15-6)10-14-8(12)11(5)17(13)16-9(2,3)4/h1-6H3/b10-7-
InChIKey
GVRQRAWZBJCUNI-YFHOEESVSA-N
Compound name
methyl (1Z)-N-[tert-butylsulfanylsulfinyl(methyl)carbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.04794 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05522 168.6
[M+Na]+ 321.03716 172.4
[M+NH4]+ 316.08176 174.2
[M+K]+ 337.01110 165.5
[M-H]- 297.04066 167.0
[M+Na-2H]- 319.02261 167.8
[M]+ 298.04739 169.6
[M]- 298.04849 169.6
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.