CID 9570657

3-methyl-1,4-dithian-2-one o-((methylamino)carbonyl)oxime

Structural Information

Molecular Formula
C7H12N2O2S2
SMILES
CC1/C(=N\OC(=O)NC)/SCCS1
InChI
InChI=1S/C7H12N2O2S2/c1-5-6(13-4-3-12-5)9-11-7(10)8-2/h5H,3-4H2,1-2H3,(H,8,10)/b9-6+
InChIKey
UNTSPMCSYMCSNZ-RMKNXTFCSA-N
Compound name
[(E)-(3-methyl-1,4-dithian-2-ylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03403 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04131 144.4
[M+Na]+ 243.02325 149.2
[M-H]- 219.02675 148.1
[M+NH4]+ 238.06785 163.1
[M+K]+ 258.99719 146.6
[M+H-H2O]+ 203.03129 137.8
[M+HCOO]- 265.03223 157.0
[M+CH3COO]- 279.04788 189.6
[M+Na-2H]- 241.00870 145.2
[M]+ 220.03348 143.5
[M]- 220.03458 143.5
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.