CID 9570539

Dimethyldithiocarbamic acid acetonyl ester oxime

Structural Information

Molecular Formula
C6H12N2OS2
SMILES
C/C(=N\O)/CSC(=S)N(C)C
InChI
InChI=1S/C6H12N2OS2/c1-5(7-9)4-11-6(10)8(2)3/h9H,4H2,1-3H3/b7-5+
InChIKey
OOBJCPDONHKEGY-FNORWQNLSA-N
Compound name
[(2E)-2-hydroxyiminopropyl] N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.03911 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04639 140.6
[M+Na]+ 215.02833 145.9
[M-H]- 191.03183 141.8
[M+NH4]+ 210.07293 160.4
[M+K]+ 231.00227 143.9
[M+H-H2O]+ 175.03637 134.1
[M+HCOO]- 237.03731 153.1
[M+CH3COO]- 251.05296 188.8
[M+Na-2H]- 213.01378 139.6
[M]+ 192.03856 142.4
[M]- 192.03966 142.4
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

patents stripe