CID 9587923

2-methyl-2-(methylthio)propanol o-((methyl(4-morpholinylthio)amino)carbonyl)oxime

Structural Information

Molecular Formula
C11H21N3O3S2
SMILES
CC(C)(/C=N/OC(=O)N(C)SN1CCOCC1)SC
InChI
InChI=1S/C11H21N3O3S2/c1-11(2,18-4)9-12-17-10(15)13(3)19-14-5-7-16-8-6-14/h9H,5-8H2,1-4H3/b12-9+
InChIKey
LZWYTEGVUFWUPW-FMIVXFBMSA-N
Compound name
[(E)-(2-methyl-2-methylsulfanylpropylidene)amino] N-methyl-N-morpholin-4-ylsulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

307.10245 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10973 170.2
[M+Na]+ 330.09167 173.0
[M-H]- 306.09517 173.8
[M+NH4]+ 325.13627 183.3
[M+K]+ 346.06561 172.6
[M+H-H2O]+ 290.09971 162.2
[M+HCOO]- 352.10065 179.2
[M+CH3COO]- 366.11630 208.6
[M+Na-2H]- 328.07712 171.3
[M]+ 307.10190 173.3
[M]- 307.10300 173.3
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