CID 64717383

3-methanesulfinylcyclohexan-1-amine

Structural Information

Molecular Formula
C7H15NOS
SMILES
CS(=O)C1CCCC(C1)N
InChI
InChI=1S/C7H15NOS/c1-10(9)7-4-2-3-6(8)5-7/h6-7H,2-5,8H2,1H3
InChIKey
BYJYAVYDWVNBHG-UHFFFAOYSA-N
Compound name
3-methylsulfinylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08743 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09471 133.3
[M+Na]+ 184.07665 142.2
[M+NH4]+ 179.12125 142.3
[M+K]+ 200.05059 135.3
[M-H]- 160.08015 135.5
[M+Na-2H]- 182.06210 137.1
[M]+ 161.08688 135.4
[M]- 161.08798 135.4
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.