CID 9570655

2,2-dimethyl-4-(o-(methylcarbamoyl)oximino)-1,3-dithiolane

Structural Information

Molecular Formula
C7H12N2O2S2
SMILES
CC1(SC/C(=N\OC(=O)NC)/S1)C
InChI
InChI=1S/C7H12N2O2S2/c1-7(2)12-4-5(13-7)9-11-6(10)8-3/h4H2,1-3H3,(H,8,10)/b9-5+
InChIKey
VYOXJEOCICEUOX-WEVVVXLNSA-N
Compound name
[(E)-(2,2-dimethyl-1,3-dithiolan-4-ylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03403 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.041306 144.7
[M+Na]+ 243.023248 151.5
[M-H]- 219.026754 149.1
[M+NH4]+ 238.067853 167.4
[M+K]+ 258.997188 149.5
[M+H-H2O]+ 203.031290 139.7
[M+HCOO]- 265.032231 159.4
[M+CH3COO]- 279.047881 188.8
[M+Na-2H]- 241.008696 146.0
[M]+ 220.03348142 146.6
[M]- 220.03457858 146.6
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.