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

28
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 119.9
[M+Na]+ 140.05044 125.9
[M-H]- 116.05394 123.3
[M+NH4]+ 135.09504 137.8
[M+K]+ 156.02438 127.7
[M+H-H2O]+ 100.05848 110.4
[M+HCOO]- 162.05942 136.8
[M+CH3COO]- 176.07507 174.4
[M+Na-2H]- 138.03589 123.4
[M]+ 117.06067 127.3
[M]- 117.06177 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