CID 9578417

Ai3-27903

Structural Information

Molecular Formula
C8H14N2O2S2
SMILES
CC1(SCCCS1)/C=N/OC(=O)NC
InChI
InChI=1S/C8H14N2O2S2/c1-8(13-4-3-5-14-8)6-10-12-7(11)9-2/h6H,3-5H2,1-2H3,(H,9,11)/b10-6+
InChIKey
YRROZKZBFAEWIZ-UXBLZVDNSA-N
Compound name
[(E)-(2-methyl-1,3-dithian-2-yl)methylideneamino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.04967 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05695 147.6
[M+Na]+ 257.03889 151.8
[M-H]- 233.04239 150.8
[M+NH4]+ 252.08349 167.3
[M+K]+ 273.01283 149.4
[M+H-H2O]+ 217.04693 141.6
[M+HCOO]- 279.04787 159.8
[M+CH3COO]- 293.06352 191.0
[M+Na-2H]- 255.02434 150.3
[M]+ 234.04912 147.0
[M]- 234.05022 147.0
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.