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

3
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 167.2
[M+Na]+ 321.03716 170.6
[M-H]- 297.04066 168.0
[M+NH4]+ 316.08176 182.5
[M+K]+ 337.01110 167.5
[M+H-H2O]+ 281.04520 159.5
[M+HCOO]- 343.04614 171.9
[M+CH3COO]- 357.06179 208.0
[M+Na-2H]- 319.02261 165.3
[M]+ 298.04739 171.6
[M]- 298.04849 171.6
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

patents stripe