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]+ 146.09979 128.9
[M+Na]+ 168.08173 133.3
[M-H]- 144.08523 131.6
[M+NH4]+ 163.12633 145.4
[M+K]+ 184.05567 134.6
[M+H-H2O]+ 128.08977 118.8
[M+HCOO]- 190.09071 145.3
[M+CH3COO]- 204.10636 179.2
[M+Na-2H]- 166.06718 132.1
[M]+ 145.09196 136.7
[M]- 145.09306 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.