CID 25010745

8-methylthiooctanaldoxime

Structural Information

Molecular Formula
C9H19NOS
SMILES
CSCCCCCCC/C=N/O
InChI
InChI=1S/C9H19NOS/c1-12-9-7-5-3-2-4-6-8-10-11/h8,11H,2-7,9H2,1H3/b10-8+
InChIKey
XKNUDVRSFJJTNT-CSKARUKUSA-N
Compound name
(NE)-N-(8-methylsulfanyloctylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

189.11873 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12601 143.7
[M+Na]+ 212.10795 149.1
[M-H]- 188.11145 143.5
[M+NH4]+ 207.15255 163.8
[M+K]+ 228.08189 146.7
[M+H-H2O]+ 172.11599 137.8
[M+HCOO]- 234.11693 162.4
[M+CH3COO]- 248.13258 185.3
[M+Na-2H]- 210.09340 146.0
[M]+ 189.11818 148.0
[M]- 189.11928 148.0
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