CID 165744994

Imino[2-(3-methoxycyclobutyl)ethyl]methyl-lambda6-sulfanone

Structural Information

Molecular Formula
C8H17NO2S
SMILES
COC1CC(C1)CCS(=N)(=O)C
InChI
InChI=1S/C8H17NO2S/c1-11-8-5-7(6-8)3-4-12(2,9)10/h7-9H,3-6H2,1-2H3
InChIKey
CXIDNHOILNHIEA-UHFFFAOYSA-N
Compound name
imino-[2-(3-methoxycyclobutyl)ethyl]-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.098 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10528 138.5
[M+Na]+ 214.08722 142.8
[M-H]- 190.09072 141.5
[M+NH4]+ 209.13182 151.5
[M+K]+ 230.06116 144.2
[M+H-H2O]+ 174.09526 127.0
[M+HCOO]- 236.09620 154.4
[M+CH3COO]- 250.11185 186.8
[M+Na-2H]- 212.07267 140.9
[M]+ 191.09745 148.4
[M]- 191.09855 148.4
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.