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

1
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 127.1
[M+Na]+ 154.04093 131.7
[M-H]- 130.04443 128.1
[M+NH4]+ 149.08553 140.3
[M+K]+ 170.01487 133.0
[M+H-H2O]+ 114.04897 114.4
[M+HCOO]- 176.04991 142.4
[M+CH3COO]- 190.06556 177.8
[M+Na-2H]- 152.02638 127.4
[M]+ 131.05116 130.9
[M]- 131.05226 130.9
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