CID 165941652

2680525-00-0

Structural Information

Molecular Formula
C9H19NO2S
SMILES
CC(C)(C)OC1CC(C1)S(=N)(=O)C
InChI
InChI=1S/C9H19NO2S/c1-9(2,3)12-7-5-8(6-7)13(4,10)11/h7-8,10H,5-6H2,1-4H3
InChIKey
TYEHADAXFHCRFM-UHFFFAOYSA-N
Compound name
imino-methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11365 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.120926 144.1
[M+Na]+ 228.102868 148.4
[M-H]- 204.106374 147.2
[M+NH4]+ 223.147473 156.8
[M+K]+ 244.076808 150.0
[M+H-H2O]+ 188.110910 133.1
[M+HCOO]- 250.111851 158.2
[M+CH3COO]- 264.127501 189.5
[M+Na-2H]- 226.088316 146.8
[M]+ 205.11310142 153.8
[M]- 205.11419858 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.