CID 89777629

3-aminoazetidine-1-carbothioamide hydrochloride

Structural Information

Molecular Formula
C4H9N3S
SMILES
C1C(CN1C(=S)N)N
InChI
InChI=1S/C4H9N3S/c5-3-1-7(2-3)4(6)8/h3H,1-2,5H2,(H2,6,8)
InChIKey
BBWXNRNHXHCVDN-UHFFFAOYSA-N
Compound name
3-aminoazetidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.05171 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.05899 125.8
[M+Na]+ 154.04093 129.2
[M+NH4]+ 149.08553 129.8
[M+K]+ 170.01487 125.8
[M-H]- 130.04443 124.2
[M+Na-2H]- 152.02638 126.5
[M]+ 131.05116 124.7
[M]- 131.05226 124.7
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.