CID 123131533

1-(methylsulfanyl)-9-aci-nitrononane

Structural Information

Molecular Formula
C10H21NO2S
SMILES
CSCCCCCCCC/C=[N+](/O)\[O-]
InChI
InChI=1S/C10H21NO2S/c1-14-10-8-6-4-2-3-5-7-9-11(12)13/h9H,2-8,10H2,1H3,(H,12,13)
InChIKey
YNGGFUNKMBPTPS-UHFFFAOYSA-N
Compound name
N-hydroxy-9-methylsulfanylnonan-1-imine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

219.1293 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13658 149.7
[M+Na]+ 242.11852 158.8
[M+NH4]+ 237.16312 157.2
[M+K]+ 258.09246 152.9
[M-H]- 218.12202 150.2
[M+Na-2H]- 240.10397 151.3
[M]+ 219.12875 151.3
[M]- 219.12985 151.3
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

No patent data available for this compound.