CID 123131543

1-(methylsulfanyl)-6-aci-nitrohexane

Structural Information

Molecular Formula
C7H15NO2S
SMILES
CSCCCCC/C=[N+](/O)\[O-]
InChI
InChI=1S/C7H15NO2S/c1-11-7-5-3-2-4-6-8(9)10/h6H,2-5,7H2,1H3,(H,9,10)
InChIKey
JTDCVVYTRKWMAE-UHFFFAOYSA-N
Compound name
N-hydroxy-6-methylsulfanylhexan-1-imine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

177.08235 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08963 136.7
[M+Na]+ 200.07157 146.5
[M+NH4]+ 195.11617 144.7
[M+K]+ 216.04551 141.2
[M-H]- 176.07507 137.4
[M+Na-2H]- 198.05702 139.0
[M]+ 177.08180 138.4
[M]- 177.08290 138.4
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.