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]+ 206.12093 144.1
[M+Na]+ 228.10287 148.4
[M-H]- 204.10637 147.2
[M+NH4]+ 223.14747 156.8
[M+K]+ 244.07681 150.0
[M+H-H2O]+ 188.11091 133.1
[M+HCOO]- 250.11185 158.2
[M+CH3COO]- 264.12750 189.5
[M+Na-2H]- 226.08832 146.8
[M]+ 205.11310 153.8
[M]- 205.11420 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.