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]+ 192.105276 138.5
[M+Na]+ 214.087218 142.8
[M-H]- 190.090724 141.5
[M+NH4]+ 209.131823 151.5
[M+K]+ 230.061158 144.2
[M+H-H2O]+ 174.095260 127.0
[M+HCOO]- 236.096201 154.4
[M+CH3COO]- 250.111851 186.8
[M+Na-2H]- 212.072666 140.9
[M]+ 191.09745142 148.4
[M]- 191.09854858 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.