CID 9570884

2,2,5-trimethyl-4-(o-(methylcarbamoyl)oximino)-1,3-dithiolane

Structural Information

Molecular Formula
C8H14N2O2S2
SMILES
CC1/C(=N\OC(=O)NC)/SC(S1)(C)C
InChI
InChI=1S/C8H14N2O2S2/c1-5-6(10-12-7(11)9-4)14-8(2,3)13-5/h5H,1-4H3,(H,9,11)/b10-6+
InChIKey
RLNVTXJDTJWBGM-UXBLZVDNSA-N
Compound name
[(E)-(2,2,5-trimethyl-1,3-dithiolan-4-ylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.04967 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05695 148.0
[M+Na]+ 257.03889 155.2
[M-H]- 233.04239 152.5
[M+NH4]+ 252.08349 170.4
[M+K]+ 273.01283 152.8
[M+H-H2O]+ 217.04693 143.2
[M+HCOO]- 279.04787 162.3
[M+CH3COO]- 293.06352 192.9
[M+Na-2H]- 255.02434 148.4
[M]+ 234.04912 150.6
[M]- 234.05022 150.6
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.