CID 10920514

Azetidine-3-thiol hydrochloride

Structural Information

Molecular Formula
C3H7NS
SMILES
C1C(CN1)S
InChI
InChI=1S/C3H7NS/c5-3-1-4-2-3/h3-5H,1-2H2
InChIKey
ODDWEBIFYYPVNZ-UHFFFAOYSA-N
Compound name
azetidine-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

89.02992 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.037196 109.4
[M+Na]+ 112.01914 115.6
[M-H]- 88.022644 110.4
[M+NH4]+ 107.06374 125.0
[M+K]+ 127.99308 117.3
[M+H-H2O]+ 72.027180 99.0
[M+HCOO]- 134.02812 124.4
[M+CH3COO]- 148.04377 164.0
[M+Na-2H]- 110.00459 113.8
[M]+ 89.029371 116.0
[M]- 89.030469 116.0
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