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]+ 162.094706 133.5
[M+Na]+ 184.076648 138.7
[M-H]- 160.080154 136.1
[M+NH4]+ 179.121253 154.1
[M+K]+ 200.050588 136.9
[M+H-H2O]+ 144.084690 128.0
[M+HCOO]- 206.085631 148.6
[M+CH3COO]- 220.101281 177.5
[M+Na-2H]- 182.062096 133.9
[M]+ 161.08688142 129.3
[M]- 161.08797858 129.3
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.