CID 9578416

Mbr 5667

Structural Information

Molecular Formula
C7H12N2O2S2
SMILES
CC1(SCCS1)/C=N/OC(=O)NC
InChI
InChI=1S/C7H12N2O2S2/c1-7(12-3-4-13-7)5-9-11-6(10)8-2/h5H,3-4H2,1-2H3,(H,8,10)/b9-5+
InChIKey
ZFUOBKRWDAHLGT-WEVVVXLNSA-N
Compound name
[(E)-(2-methyl-1,3-dithiolan-2-yl)methylideneamino] 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]+ 221.04131 145.4
[M+Na]+ 243.02325 151.5
[M-H]- 219.02675 149.5
[M+NH4]+ 238.06785 167.8
[M+K]+ 258.99719 149.5
[M+H-H2O]+ 203.03129 140.1
[M+HCOO]- 265.03223 160.2
[M+CH3COO]- 279.04788 187.7
[M+Na-2H]- 241.00870 147.3
[M]+ 220.03348 146.9
[M]- 220.03458 146.9
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.