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 133.5
[M+Na]+ 184.07665 138.7
[M-H]- 160.08015 136.1
[M+NH4]+ 179.12125 154.1
[M+K]+ 200.05059 136.9
[M+H-H2O]+ 144.08469 128.0
[M+HCOO]- 206.08563 148.6
[M+CH3COO]- 220.10128 177.5
[M+Na-2H]- 182.06210 133.9
[M]+ 161.08688 129.3
[M]- 161.08798 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.