CID 165625814

1-{1-[(methylsulfanyl)methyl]cyclobutyl}methanamine hydrochloride

Structural Information

Molecular Formula
C7H15NS
SMILES
CSCC1(CCC1)CN
InChI
InChI=1S/C7H15NS/c1-9-6-7(5-8)3-2-4-7/h2-6,8H2,1H3
InChIKey
QSRRSUPCDRFHEU-UHFFFAOYSA-N
Compound name
[1-(methylsulfanylmethyl)cyclobutyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.09251 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.099786 128.9
[M+Na]+ 168.081728 133.3
[M-H]- 144.085234 131.6
[M+NH4]+ 163.126333 145.4
[M+K]+ 184.055668 134.6
[M+H-H2O]+ 128.089770 118.8
[M+HCOO]- 190.090711 145.3
[M+CH3COO]- 204.106361 179.2
[M+Na-2H]- 166.067176 132.1
[M]+ 145.09196142 136.7
[M]- 145.09305858 136.7
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.