CID 25010756

6-methylthiohexanaldoxime

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

4
Patents

161.08743 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09471 136.2
[M+Na]+ 184.07665 145.1
[M+NH4]+ 179.12125 144.3
[M+K]+ 200.05059 136.8
[M-H]- 160.08015 136.4
[M+Na-2H]- 182.06210 139.1
[M]+ 161.08688 137.7
[M]- 161.08798 137.7
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