CID 14594132

Thietan-3-amine

Structural Information

Molecular Formula
C3H7NS
SMILES
C1C(CS1)N
InChI
InChI=1S/C3H7NS/c4-3-1-5-2-3/h3H,1-2,4H2
InChIKey
GNWIATZLVXZUEL-UHFFFAOYSA-N
Compound name
thietan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

89.02992 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.037196 109.4
[M+Na]+ 112.01914 114.7
[M+NH4]+ 107.06374 115.5
[M+K]+ 127.99308 110.1
[M-H]- 88.022644 109.2
[M+Na-2H]- 110.00459 112.5
[M]+ 89.029371 109.2
[M]- 89.030469 109.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe