CID 9578418

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

Structural Information

Molecular Formula
C9H16N2O2S2
SMILES
CC1C(SC(S1)(C)/C=N/OC(=O)NC)C
InChI
InChI=1S/C9H16N2O2S2/c1-6-7(2)15-9(3,14-6)5-11-13-8(12)10-4/h5-7H,1-4H3,(H,10,12)/b11-5+
InChIKey
NWBLSYWXGOQPQX-VZUCSPMQSA-N
Compound name
[(E)-(2,4,5-trimethyl-1,3-dithiolan-2-yl)methylideneamino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.06532 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07260 156.0
[M+Na]+ 271.05454 162.0
[M+NH4]+ 266.09914 164.9
[M+K]+ 287.02848 153.7
[M-H]- 247.05804 157.3
[M+Na-2H]- 269.03999 159.1
[M]+ 248.06477 157.9
[M]- 248.06587 157.9
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.