CID 55285548

(3r)-2,2-dimethylthietan-3-amine

Structural Information

Molecular Formula
C5H11NS
SMILES
CC1(C(CS1)N)C
InChI
InChI=1S/C5H11NS/c1-5(2)4(6)3-7-5/h4H,3,6H2,1-2H3
InChIKey
BHIGXGGBHPDRAL-UHFFFAOYSA-N
Compound name
2,2-dimethylthietan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

117.06122 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06850 119.1
[M+Na]+ 140.05044 124.5
[M+NH4]+ 135.09504 126.2
[M+K]+ 156.02438 118.0
[M-H]- 116.05394 118.8
[M+Na-2H]- 138.03589 123.1
[M]+ 117.06067 119.1
[M]- 117.06177 119.1
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