CID 156056950

2567495-96-7

Structural Information

Molecular Formula
C7H15NS
SMILES
CSCCC1CC(C1)N
InChI
InChI=1S/C7H15NS/c1-9-3-2-6-4-7(8)5-6/h6-7H,2-5,8H2,1H3
InChIKey
VEEJBWQNNYOIHV-UHFFFAOYSA-N
Compound name
3-(2-methylsulfanylethyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 128.0
[M+Na]+ 168.08173 132.5
[M-H]- 144.08523 130.8
[M+NH4]+ 163.12633 142.9
[M+K]+ 184.05567 133.7
[M+H-H2O]+ 128.08977 116.8
[M+HCOO]- 190.09071 144.5
[M+CH3COO]- 204.10636 180.7
[M+Na-2H]- 166.06718 129.3
[M]+ 145.09196 135.8
[M]- 145.09306 135.8
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

patents stripe