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 152.1
[M+Na]+ 271.05454 158.8
[M-H]- 247.05804 156.4
[M+NH4]+ 266.09914 173.9
[M+K]+ 287.02848 156.3
[M+H-H2O]+ 231.06258 147.1
[M+HCOO]- 293.06352 166.1
[M+CH3COO]- 307.07917 195.8
[M+Na-2H]- 269.03999 152.1
[M]+ 248.06477 155.0
[M]- 248.06587 155.0
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.