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 152.6
[M+Na]+ 242.11852 156.7
[M-H]- 218.12202 150.7
[M+NH4]+ 237.16312 170.2
[M+K]+ 258.09246 149.5
[M+H-H2O]+ 202.12656 151.4
[M+HCOO]- 264.12750 169.3
[M+CH3COO]- 278.14315 181.1
[M+Na-2H]- 240.10397 154.4
[M]+ 219.12875 153.8
[M]- 219.12985 153.8
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.