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

30
Patents

117.06122 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.068496 119.9
[M+Na]+ 140.050438 125.9
[M-H]- 116.053944 123.3
[M+NH4]+ 135.095043 137.8
[M+K]+ 156.024378 127.7
[M+H-H2O]+ 100.058480 110.4
[M+HCOO]- 162.059421 136.8
[M+CH3COO]- 176.075071 174.4
[M+Na-2H]- 138.035886 123.4
[M]+ 117.06067142 127.3
[M]- 117.06176858 127.3
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

patents stripe