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

266
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 109.8
[M+Na]+ 112.01914 115.1
[M-H]- 88.022644 112.9
[M+NH4]+ 107.06374 126.6
[M+K]+ 127.99308 117.3
[M+H-H2O]+ 72.027180 99.1
[M+HCOO]- 134.02812 127.5
[M+CH3COO]- 148.04377 167.9
[M+Na-2H]- 110.00459 113.8
[M]+ 89.029371 115.8
[M]- 89.030469 115.8
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

No patent data available for this compound.