CID 25010756

(e)-6-(methylthio)hexanaldoxime

Structural Information

Molecular Formula
C7H15NOS
SMILES
CSCCCCC/C=N/O
InChI
InChI=1S/C7H15NOS/c1-10-7-5-3-2-4-6-8-9/h6,9H,2-5,7H2,1H3/b8-6+
InChIKey
OKKDZUZMZMLOGY-SOFGYWHQSA-N
Compound name
(NE)-N-(6-methylsulfanylhexylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

161.08743 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.094706 135.0
[M+Na]+ 184.076648 141.2
[M-H]- 160.080154 135.1
[M+NH4]+ 179.121253 156.1
[M+K]+ 200.050588 139.3
[M+H-H2O]+ 144.084690 129.5
[M+HCOO]- 206.085631 154.3
[M+CH3COO]- 220.101281 179.3
[M+Na-2H]- 182.062096 138.2
[M]+ 161.08688142 138.5
[M]- 161.08797858 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe