CID 64717350

3-(ethanesulfinyl)cyclohexan-1-amine

Structural Information

Molecular Formula
C8H17NOS
SMILES
CCS(=O)C1CCCC(C1)N
InChI
InChI=1S/C8H17NOS/c1-2-11(10)8-5-3-4-7(9)6-8/h7-8H,2-6,9H2,1H3
InChIKey
WZZVAVUXQCERPY-UHFFFAOYSA-N
Compound name
3-ethylsulfinylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.10309 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.110366 137.9
[M+Na]+ 198.092308 142.7
[M-H]- 174.095814 140.3
[M+NH4]+ 193.136913 157.9
[M+K]+ 214.066248 140.6
[M+H-H2O]+ 158.100350 132.2
[M+HCOO]- 220.101291 152.7
[M+CH3COO]- 234.116941 180.6
[M+Na-2H]- 196.077756 137.8
[M]+ 175.10254142 134.0
[M]- 175.10363858 134.0
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.