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

29
Patents

104.04082 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.048096 119.8
[M+Na]+ 127.030038 126.2
[M-H]- 103.033544 119.5
[M+NH4]+ 122.074643 142.0
[M+K]+ 143.003978 124.9
[M+H-H2O]+ 87.038080 114.7
[M+HCOO]- 149.039021 137.5
[M+CH3COO]- 163.054671 171.0
[M+Na-2H]- 125.015486 120.7
[M]+ 104.04027142 116.1
[M]- 104.04136858 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