CID 13760557

2-aminopropanethioamide hydrochloride

Structural Information

Molecular Formula
C3H8N2S
SMILES
CC(C(=S)N)N
InChI
InChI=1S/C3H8N2S/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)
InChIKey
DFOUVXZLAJTTNU-UHFFFAOYSA-N
Compound name
2-aminopropanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

104.04082 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.04810 119.8
[M+Na]+ 127.03004 126.2
[M-H]- 103.03354 119.5
[M+NH4]+ 122.07464 142.0
[M+K]+ 143.00398 124.9
[M+H-H2O]+ 87.038080 114.7
[M+HCOO]- 149.03902 137.5
[M+CH3COO]- 163.05467 171.0
[M+Na-2H]- 125.01549 120.7
[M]+ 104.04027 116.1
[M]- 104.04137 116.1
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